# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 1958805'
loop_
_audit_author_name
_audit_author_address
'Oliver Janka'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-10-11 deposited with the CCDC.	2020-04-22 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Al9 Ca2 Pt3'
_chemical_formula_weight         908.2
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'C m c m'
_symmetry_space_group_name_Hall  '-C -2x;-2yc;-2zc'
_symmetry_Int_Tables_number      63

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z+1/2
3 -x,y,-z+1/2
4 x,-y,-z
5 -x,-y,-z
6 x,y,-z+1/2
7 x,-y,z+1/2
8 -x,y,z
9 x+1/2,y+1/2,z
10 -x+1/2,-y+1/2,z+1/2
11 -x+1/2,y+1/2,-z+1/2
12 x+1/2,-y+1/2,-z
13 -x+1/2,-y+1/2,-z
14 x+1/2,y+1/2,-z+1/2
15 x+1/2,-y+1/2,z+1/2
16 -x+1/2,y+1/2,z

_cell_length_a                   13.1049(7)
_cell_length_b                   7.6167(11)
_cell_length_c                   9.4788(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     946.14

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            4

_cell_measurement_reflns_used    1887
_cell_measurement_theta_min      4.30
_cell_measurement_theta_max      33.37
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    6.38
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1564

_exptl_absorpt_coefficient_mu    46.1
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.055
_exptl_crystal_size_min          0.015
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            silver
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.1001
_exptl_absorpt_correction_T_max  0.5083
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'IPDS-II Stoe'
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       '??integration method??'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            7475
_diffrn_reflns_theta_min         3.09
_diffrn_reflns_theta_max         33.39
_diffrn_reflns_theta_full        33.39
_diffrn_measured_fraction_theta_max 1
_diffrn_measured_fraction_theta_full 1
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             1003
_reflns_number_gt                473
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0166
_refine_ls_wR_factor_gt          0.0302
_refine_ls_R_factor_all          0.0554
_refine_ls_wR_factor_ref         0.0387
_refine_ls_goodness_of_fit_ref   0.84
_refine_ls_goodness_of_fit_gt    0.98
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         1003
_refine_ls_number_parameters     42
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(I)+0.0004I²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0002
_refine_ls_shift/su_mean         0.0001
_refine_diff_density_max         1.77
_refine_diff_density_min         -2.16
_refine_ls_extinction_method     
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       475(13)
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al 0.0645 0.0514 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ca 0.2262 0.3064 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Pt -1.7033 8.3905 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca Ca 0.33704(16) 0.3333(2) 0.25 Uani 0.0103(3) 8 1 d . . .
Pt1 Pt 0.32952(2) 0 0 Uani 0.00776(7) 8 1 d . . .
Pt2 Pt 0 0 0 Uani 0.00800(11) 4 1 d . . .
Al1 Al 0.16759(16) 0.1674(2) 0.0756(2) Uani 0.0096(4) 16 1 d . . .
Al2 Al 0.1026(2) 0.4428(3) 0.25 Uani 0.0092(6) 8 1 d . . .
Al3 Al 0 0.3327(4) 0.5566(3) Uani 0.0108(7) 8 1 d . . .
Al4 Al 0 0.1300(5) 0.25 Uani 0.0105(9) 4 1 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ca Pt1 . . 3.4741(13) ?
Ca Pt1 . 10_555 3.4629(15) ?
Ca Pt1 . 13_555 3.4629(15) ?
Ca Pt1 . 6_555 3.4741(13) ?
Ca Pt2 . 9_555 3.4335(15) ?
Ca Pt2 . 10_555 3.4335(15) ?
Ca Al1 . . 3.043(3) ?
Ca Al1 . 10_555 3.087(2) ?
Ca Al1 . 11_555 3.035(2) ?
Ca Al1 . 13_555 3.087(2) ?
Ca Al1 . 6_555 3.043(3) ?
Ca Al1 . 16_555 3.035(2) ?
Ca Al2 . . 3.184(3) ?
Ca Al2 . 11_545 3.078(3) ?
Ca Al3 . 10_554 3.085(3) ?
Ca Al3 . 12_556 3.085(3) ?
Ca Al4 . 9_555 3.110(3) ?
Pt1 Al1 . . 2.577(2) ?
Pt1 Al1 . 4_555 2.577(2) ?
Pt1 Al1 . 13_555 2.6329(19) ?
Pt1 Al1 . 16_545 2.6329(19) ?
Pt1 Al2 . 10_554 2.5685(11) ?
Pt1 Al2 . 11_545 2.5685(11) ?
Pt1 Al3 . 10_554 2.6275(16) ?
Pt1 Al3 . 11_545 2.6275(16) ?
Pt2 Al1 . . 2.639(2) ?
Pt2 Al1 . 4_555 2.639(2) ?
Pt2 Al1 . 5_555 2.639(2) ?
Pt2 Al1 . 8_555 2.639(2) ?
Pt2 Al3 . 2_554 2.590(3) ?
Pt2 Al3 . 3_555 2.590(3) ?
Pt2 Al4 . . 2.5684(14) ?
Pt2 Al4 . 2_554 2.5684(14) ?
Al1 Al1 . 4_555 2.925(3) ?
Al1 Al1 . 13_555 2.881(3) ?
Al1 Al1 . 6_555 3.306(3) ?
Al1 Al2 . . 2.803(3) ?
Al1 Al2 . 11_545 3.838(3) ?
Al1 Al3 . 3_555 2.825(3) ?
Al1 Al4 . . 2.764(2) ?
Al2 Al2 . 3_555 2.689(4) ?
Al2 Al3 . . 3.310(3) ?
Al2 Al3 . 2_564 2.845(3) ?
Al2 Al3 . 3_555 3.310(3) ?
Al2 Al3 . 4_566 2.845(3) ?
Al2 Al4 . . 2.735(4) ?
Al3 Al3 . 3_556 3.666(4) ?
Al3 Al3 . 4_566 2.766(4) ?
Al3 Al4 . . 3.291(3) ?
Al3 Al4 . 2_555 3.973(4) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Pt1 Ca Pt1 . . 10_555 135.79(6) ?
Pt1 Ca Pt1 . . 13_555 77.48(2) ?
Pt1 Ca Pt1 . . 6_555 86.02(4) ?
Pt1 Ca Pt2 . . 9_555 79.46(2) ?
Pt1 Ca Pt2 . . 10_555 139.35(6) ?
Pt1 Ca Al1 . . . 46.00(4) ?
Pt1 Ca Al1 . . 10_555 132.85(6) ?
Pt1 Ca Al1 . . 11_555 169.60(5) ?
Pt1 Ca Al1 . . 13_555 46.86(3) ?
Pt1 Ca Al1 . . 6_555 92.66(6) ?
Pt1 Ca Al1 . . 16_555 103.92(4) ?
Pt1 Ca Al2 . . . 99.44(6) ?
Pt1 Ca Al2 . . 11_545 45.66(2) ?
Pt1 Ca Al3 . . 10_554 46.76(4) ?
Pt1 Ca Al3 . . 12_556 97.21(7) ?
Pt1 Ca Al4 . . 9_555 123.41(5) ?
Pt1 Ca Pt1 10_555 . 13_555 86.36(5) ?
Pt1 Ca Pt1 10_555 . 6_555 77.48(2) ?
Pt1 Ca Pt2 10_555 . 9_555 136.78(5) ?
Pt1 Ca Pt2 10_555 . 10_555 77.534(16) ?
Pt1 Ca Al1 10_555 . . 93.67(7) ?
Pt1 Ca Al1 10_555 . 10_555 45.90(4) ?
Pt1 Ca Al1 10_555 . 11_555 46.15(4) ?
Pt1 Ca Al1 10_555 . 13_555 132.25(7) ?
Pt1 Ca Al1 10_555 . 6_555 47.20(4) ?
Pt1 Ca Al1 10_555 . 16_555 93.02(6) ?
Pt1 Ca Al2 10_555 . . 45.22(3) ?
Pt1 Ca Al2 10_555 . 11_545 121.09(5) ?
Pt1 Ca Al3 10_555 . 10_554 173.26(7) ?
Pt1 Ca Al3 10_555 . 12_556 100.37(5) ?
Pt1 Ca Al4 10_555 . 9_555 99.58(5) ?
Pt1 Ca Pt1 13_555 . 6_555 135.79(6) ?
Pt1 Ca Pt2 13_555 . 9_555 77.534(16) ?
Pt1 Ca Pt2 13_555 . 10_555 136.78(5) ?
Pt1 Ca Al1 13_555 . . 47.20(4) ?
Pt1 Ca Al1 13_555 . 10_555 132.25(7) ?
Pt1 Ca Al1 13_555 . 11_555 93.02(6) ?
Pt1 Ca Al1 13_555 . 13_555 45.90(4) ?
Pt1 Ca Al1 13_555 . 6_555 93.67(7) ?
Pt1 Ca Al1 13_555 . 16_555 46.15(4) ?
Pt1 Ca Al2 13_555 . . 45.22(3) ?
Pt1 Ca Al2 13_555 . 11_545 121.09(5) ?
Pt1 Ca Al3 13_555 . 10_554 100.37(5) ?
Pt1 Ca Al3 13_555 . 12_556 173.26(7) ?
Pt1 Ca Al4 13_555 . 9_555 99.58(5) ?
Pt1 Ca Pt2 6_555 . 9_555 139.35(6) ?
Pt1 Ca Pt2 6_555 . 10_555 79.46(2) ?
Pt1 Ca Al1 6_555 . . 92.66(6) ?
Pt1 Ca Al1 6_555 . 10_555 46.86(3) ?
Pt1 Ca Al1 6_555 . 11_555 103.92(4) ?
Pt1 Ca Al1 6_555 . 13_555 132.85(6) ?
Pt1 Ca Al1 6_555 . 6_555 46.00(4) ?
Pt1 Ca Al1 6_555 . 16_555 169.60(5) ?
Pt1 Ca Al2 6_555 . . 99.44(6) ?
Pt1 Ca Al2 6_555 . 11_545 45.66(2) ?
Pt1 Ca Al3 6_555 . 10_554 97.21(7) ?
Pt1 Ca Al3 6_555 . 12_556 46.76(4) ?
Pt1 Ca Al4 6_555 . 9_555 123.41(5) ?
Pt2 Ca Pt2 9_555 . 10_555 87.29(5) ?
Pt2 Ca Al1 9_555 . . 103.44(4) ?
Pt2 Ca Al1 9_555 . 10_555 134.66(7) ?
Pt2 Ca Al1 9_555 . 11_555 94.49(6) ?
Pt2 Ca Al1 9_555 . 13_555 47.38(4) ?
Pt2 Ca Al1 9_555 . 6_555 169.23(6) ?
Pt2 Ca Al1 9_555 . 16_555 47.66(4) ?
Pt2 Ca Al2 9_555 . . 120.23(5) ?
Pt2 Ca Al2 9_555 . 11_545 101.39(6) ?
Pt2 Ca Al3 9_555 . 10_554 46.45(6) ?
Pt2 Ca Al3 9_555 . 12_556 97.53(7) ?
Pt2 Ca Al4 9_555 . 9_555 45.89(3) ?
Pt2 Ca Al1 10_555 . . 169.23(6) ?
Pt2 Ca Al1 10_555 . 10_555 47.38(4) ?
Pt2 Ca Al1 10_555 . 11_555 47.66(4) ?
Pt2 Ca Al1 10_555 . 13_555 134.66(7) ?
Pt2 Ca Al1 10_555 . 6_555 103.44(4) ?
Pt2 Ca Al1 10_555 . 16_555 94.49(6) ?
Pt2 Ca Al2 10_555 . . 120.23(5) ?
Pt2 Ca Al2 10_555 . 11_545 101.39(6) ?
Pt2 Ca Al3 10_555 . 10_554 97.53(7) ?
Pt2 Ca Al3 10_555 . 12_556 46.45(6) ?
Pt2 Ca Al4 10_555 . 9_555 45.89(3) ?
Al1 Ca Al1 . . 10_555 121.88(8) ?
Al1 Ca Al1 . . 11_555 129.01(9) ?
Al1 Ca Al1 . . 13_555 56.07(5) ?
Al1 Ca Al1 . . 6_555 65.81(7) ?
Al1 Ca Al1 . . 16_555 92.16(6) ?
Al1 Ca Al2 . . . 53.45(6) ?
Al1 Ca Al2 . . 11_545 77.66(6) ?
Al1 Ca Al3 . . 10_554 90.70(6) ?
Al1 Ca Al3 . . 12_556 131.13(8) ?
Al1 Ca Al4 . . 9_555 143.41(5) ?
Al1 Ca Al1 10_555 . 11_555 57.08(5) ?
Al1 Ca Al1 10_555 . 13_555 177.74(10) ?
Al1 Ca Al1 10_555 . 6_555 56.07(5) ?
Al1 Ca Al1 10_555 . 16_555 123.07(7) ?
Al1 Ca Al2 10_555 . . 88.94(5) ?
Al1 Ca Al2 10_555 . 11_545 90.19(4) ?
Al1 Ca Al3 10_555 . 10_554 127.36(8) ?
Al1 Ca Al3 10_555 . 12_556 54.47(6) ?
Al1 Ca Al4 10_555 . 9_555 90.85(5) ?
Al1 Ca Al1 11_555 . 13_555 123.07(7) ?
Al1 Ca Al1 11_555 . 6_555 92.16(6) ?
Al1 Ca Al1 11_555 . 16_555 66.00(6) ?
Al1 Ca Al2 11_555 . . 76.18(7) ?
Al1 Ca Al2 11_555 . 11_545 144.63(5) ?
Al1 Ca Al3 11_555 . 10_554 132.92(9) ?
Al1 Ca Al3 11_555 . 12_556 91.94(7) ?
Al1 Ca Al4 11_555 . 9_555 53.44(6) ?
Al1 Ca Al1 13_555 . 6_555 121.88(8) ?
Al1 Ca Al1 13_555 . 16_555 57.08(5) ?
Al1 Ca Al2 13_555 . . 88.94(5) ?
Al1 Ca Al2 13_555 . 11_545 90.19(4) ?
Al1 Ca Al3 13_555 . 10_554 54.47(6) ?
Al1 Ca Al3 13_555 . 12_556 127.36(8) ?
Al1 Ca Al4 13_555 . 9_555 90.85(5) ?
Al1 Ca Al1 6_555 . 16_555 129.01(9) ?
Al1 Ca Al2 6_555 . . 53.45(6) ?
Al1 Ca Al2 6_555 . 11_545 77.66(6) ?
Al1 Ca Al3 6_555 . 10_554 131.13(8) ?
Al1 Ca Al3 6_555 . 12_556 90.70(6) ?
Al1 Ca Al4 6_555 . 9_555 143.41(5) ?
Al1 Ca Al2 16_555 . . 76.18(7) ?
Al1 Ca Al2 16_555 . 11_545 144.63(5) ?
Al1 Ca Al3 16_555 . 10_554 91.94(7) ?
Al1 Ca Al3 16_555 . 12_556 132.92(9) ?
Al1 Ca Al4 16_555 . 9_555 53.44(6) ?
Al2 Ca Al2 . . 11_545 120.08(9) ?
Al2 Ca Al3 . . 10_554 140.84(5) ?
Al2 Ca Al3 . . 12_556 140.84(5) ?
Al2 Ca Al4 . . 9_555 118.19(8) ?
Al2 Ca Al3 11_545 . 10_554 54.97(7) ?
Al2 Ca Al3 11_545 . 12_556 54.97(7) ?
Al2 Ca Al4 11_545 . 9_555 121.73(10) ?
Al3 Ca Al3 10_554 . 12_556 72.89(8) ?
Al3 Ca Al4 10_554 . 9_555 79.77(7) ?
Al3 Ca Al4 12_556 . 9_555 79.77(7) ?
Ca Pt1 Ca . . 10_554 102.52(3) ?
Ca Pt1 Ca . . 11_545 79.57(3) ?
Ca Pt1 Ca . . 4_555 176.75(5) ?
Ca Pt1 Al1 . . . 58.14(6) ?
Ca Pt1 Al1 . . 4_555 125.07(6) ?
Ca Pt1 Al1 . . 13_555 58.81(5) ?
Ca Pt1 Al1 . . 16_545 121.13(5) ?
Ca Pt1 Al2 . . 10_554 119.70(6) ?
Ca Pt1 Al2 . . 11_545 58.99(6) ?
Ca Pt1 Al3 . . 10_554 58.81(7) ?
Ca Pt1 Al3 . . 11_545 118.01(7) ?
Ca Pt1 Ca 10_554 . 11_545 101.86(4) ?
Ca Pt1 Ca 10_554 . 4_555 79.57(3) ?
Ca Pt1 Al1 10_554 . . 59.33(5) ?
Ca Pt1 Al1 10_554 . 4_555 58.14(5) ?
Ca Pt1 Al1 10_554 . 13_555 58.00(5) ?
Ca Pt1 Al1 10_554 . 16_545 123.24(5) ?
Ca Pt1 Al2 10_554 . 10_554 61.63(6) ?
Ca Pt1 Al2 10_554 . 11_545 155.77(6) ?
Ca Pt1 Al3 10_554 . 10_554 119.86(7) ?
Ca Pt1 Al3 10_554 . 11_545 125.03(7) ?
Ca Pt1 Ca 11_545 . 4_555 102.52(3) ?
Ca Pt1 Al1 11_545 . . 58.14(5) ?
Ca Pt1 Al1 11_545 . 4_555 59.33(5) ?
Ca Pt1 Al1 11_545 . 13_555 123.24(5) ?
Ca Pt1 Al1 11_545 . 16_545 58.00(5) ?
Ca Pt1 Al2 11_545 . 10_554 155.77(6) ?
Ca Pt1 Al2 11_545 . 11_545 61.63(6) ?
Ca Pt1 Al3 11_545 . 10_554 125.03(7) ?
Ca Pt1 Al3 11_545 . 11_545 119.86(7) ?
Ca Pt1 Al1 4_555 . . 125.07(6) ?
Ca Pt1 Al1 4_555 . 4_555 58.14(6) ?
Ca Pt1 Al1 4_555 . 13_555 121.13(5) ?
Ca Pt1 Al1 4_555 . 16_545 58.81(5) ?
Ca Pt1 Al2 4_555 . 10_554 58.99(6) ?
Ca Pt1 Al2 4_555 . 11_545 119.70(6) ?
Ca Pt1 Al3 4_555 . 10_554 118.01(7) ?
Ca Pt1 Al3 4_555 . 11_545 58.81(7) ?
Al1 Pt1 Al1 . . 4_555 69.16(6) ?
Al1 Pt1 Al1 . . 13_555 67.14(6) ?
Al1 Pt1 Al1 . . 16_545 114.34(6) ?
Al1 Pt1 Al2 . . 10_554 117.24(7) ?
Al1 Pt1 Al2 . . 11_545 96.47(7) ?
Al1 Pt1 Al3 . . 10_554 113.79(7) ?
Al1 Pt1 Al3 . . 11_545 175.47(8) ?
Al1 Pt1 Al1 4_555 . 13_555 114.34(6) ?
Al1 Pt1 Al1 4_555 . 16_545 67.14(6) ?
Al1 Pt1 Al2 4_555 . 10_554 96.47(7) ?
Al1 Pt1 Al2 4_555 . 11_545 117.24(7) ?
Al1 Pt1 Al3 4_555 . 10_554 175.47(8) ?
Al1 Pt1 Al3 4_555 . 11_545 113.79(7) ?
Al1 Pt1 Al1 13_555 . 16_545 178.35(6) ?
Al1 Pt1 Al2 13_555 . 10_554 65.21(7) ?
Al1 Pt1 Al2 13_555 . 11_545 114.17(7) ?
Al1 Pt1 Al3 13_555 . 10_554 64.96(7) ?
Al1 Pt1 Al3 13_555 . 11_545 113.50(7) ?
Al1 Pt1 Al2 16_545 . 10_554 114.17(7) ?
Al1 Pt1 Al2 16_545 . 11_545 65.21(7) ?
Al1 Pt1 Al3 16_545 . 10_554 113.50(7) ?
Al1 Pt1 Al3 16_545 . 11_545 64.96(7) ?
Al2 Pt1 Al2 10_554 . 11_545 139.46(8) ?
Al2 Pt1 Al3 10_554 . 10_554 79.14(9) ?
Al2 Pt1 Al3 10_554 . 11_545 66.37(9) ?
Al2 Pt1 Al3 11_545 . 10_554 66.37(9) ?
Al2 Pt1 Al3 11_545 . 11_545 79.14(9) ?
Al3 Pt1 Al3 10_554 . 11_545 63.51(8) ?
Ca Pt2 Ca 9_445 . 10_554 180.0(5) ?
Ca Pt2 Ca 9_445 . 11_545 76.93(4) ?
Ca Pt2 Ca 9_445 . 12_455 103.07(4) ?
Ca Pt2 Al1 9_445 . . 120.60(5) ?
Ca Pt2 Al1 9_445 . 4_555 121.76(5) ?
Ca Pt2 Al1 9_445 . 5_555 59.40(5) ?
Ca Pt2 Al1 9_445 . 8_555 58.24(5) ?
Ca Pt2 Al3 9_445 . 2_554 59.68(5) ?
Ca Pt2 Al3 9_445 . 3_555 120.32(5) ?
Ca Pt2 Al4 9_445 . . 60.39(6) ?
Ca Pt2 Al4 9_445 . 2_554 119.61(6) ?
Ca Pt2 Ca 10_554 . 11_545 103.07(4) ?
Ca Pt2 Ca 10_554 . 12_455 76.93(4) ?
Ca Pt2 Al1 10_554 . . 59.40(5) ?
Ca Pt2 Al1 10_554 . 4_555 58.24(5) ?
Ca Pt2 Al1 10_554 . 5_555 120.60(5) ?
Ca Pt2 Al1 10_554 . 8_555 121.76(5) ?
Ca Pt2 Al3 10_554 . 2_554 120.32(5) ?
Ca Pt2 Al3 10_554 . 3_555 59.68(5) ?
Ca Pt2 Al4 10_554 . . 119.61(6) ?
Ca Pt2 Al4 10_554 . 2_554 60.39(6) ?
Ca Pt2 Ca 11_545 . 12_455 180.0(5) ?
Ca Pt2 Al1 11_545 . . 58.24(5) ?
Ca Pt2 Al1 11_545 . 4_555 59.40(5) ?
Ca Pt2 Al1 11_545 . 5_555 121.76(5) ?
Ca Pt2 Al1 11_545 . 8_555 120.60(5) ?
Ca Pt2 Al3 11_545 . 2_554 59.68(5) ?
Ca Pt2 Al3 11_545 . 3_555 120.32(5) ?
Ca Pt2 Al4 11_545 . . 60.39(6) ?
Ca Pt2 Al4 11_545 . 2_554 119.61(6) ?
Ca Pt2 Al1 12_455 . . 121.76(5) ?
Ca Pt2 Al1 12_455 . 4_555 120.60(5) ?
Ca Pt2 Al1 12_455 . 5_555 58.24(5) ?
Ca Pt2 Al1 12_455 . 8_555 59.40(5) ?
Ca Pt2 Al3 12_455 . 2_554 120.32(5) ?
Ca Pt2 Al3 12_455 . 3_555 59.68(5) ?
Ca Pt2 Al4 12_455 . . 119.61(6) ?
Ca Pt2 Al4 12_455 . 2_554 60.39(6) ?
Al1 Pt2 Al1 . . 4_555 67.32(6) ?
Al1 Pt2 Al1 . . 5_555 180.0(5) ?
Al1 Pt2 Al1 . . 8_555 112.68(6) ?
Al1 Pt2 Al3 . . 2_554 114.61(5) ?
Al1 Pt2 Al3 . . 3_555 65.39(5) ?
Al1 Pt2 Al4 . . . 64.09(5) ?
Al1 Pt2 Al4 . . 2_554 115.91(5) ?
Al1 Pt2 Al1 4_555 . 5_555 112.68(6) ?
Al1 Pt2 Al1 4_555 . 8_555 180.0(5) ?
Al1 Pt2 Al3 4_555 . 2_554 65.39(5) ?
Al1 Pt2 Al3 4_555 . 3_555 114.61(5) ?
Al1 Pt2 Al4 4_555 . . 115.91(5) ?
Al1 Pt2 Al4 4_555 . 2_554 64.09(5) ?
Al1 Pt2 Al1 5_555 . 8_555 67.32(6) ?
Al1 Pt2 Al3 5_555 . 2_554 65.39(5) ?
Al1 Pt2 Al3 5_555 . 3_555 114.61(5) ?
Al1 Pt2 Al4 5_555 . . 115.91(5) ?
Al1 Pt2 Al4 5_555 . 2_554 64.09(5) ?
Al1 Pt2 Al3 8_555 . 2_554 114.61(5) ?
Al1 Pt2 Al3 8_555 . 3_555 65.39(5) ?
Al1 Pt2 Al4 8_555 . . 64.09(5) ?
Al1 Pt2 Al4 8_555 . 2_554 115.91(5) ?
Al3 Pt2 Al3 2_554 . 3_555 180.0(5) ?
Al3 Pt2 Al4 2_554 . . 100.72(10) ?
Al3 Pt2 Al4 2_554 . 2_554 79.28(10) ?
Al3 Pt2 Al4 3_555 . . 79.28(10) ?
Al3 Pt2 Al4 3_555 . 2_554 100.72(10) ?
Al4 Pt2 Al4 . . 2_554 180.0(5) ?
Ca Al1 Ca . . 10_554 123.93(8) ?
Ca Al1 Ca . . 11_545 93.83(7) ?
Ca Al1 Pt1 . . . 75.86(6) ?
Ca Al1 Pt1 . . 13_555 74.80(5) ?
Ca Al1 Pt2 . . . 162.84(8) ?
Ca Al1 Al1 . . 4_555 128.91(9) ?
Ca Al1 Al1 . . 13_555 62.74(6) ?
Ca Al1 Al1 . . 6_555 57.09(5) ?
Ca Al1 Al2 . . . 65.84(7) ?
Ca Al1 Al2 . . 11_545 51.57(6) ?
Ca Al1 Al3 . . 3_555 128.56(9) ?
Ca Al1 Al4 . . . 107.32(7) ?
Ca Al1 Ca 10_554 . 11_545 122.87(7) ?
Ca Al1 Pt1 10_554 . . 74.77(6) ?
Ca Al1 Pt1 10_554 . 13_555 74.33(5) ?
Ca Al1 Pt2 10_554 . . 73.22(6) ?
Ca Al1 Al1 10_554 . 4_555 60.57(6) ?
Ca Al1 Al1 10_554 . 13_555 61.20(7) ?
Ca Al1 Al1 10_554 . 6_555 178.87(9) ?
Ca Al1 Al2 10_554 . . 125.80(8) ?
Ca Al1 Al2 10_554 . 11_545 116.44(7) ?
Ca Al1 Al3 10_554 . 3_555 62.73(8) ?
Ca Al1 Al4 10_554 . . 125.61(8) ?
Ca Al1 Pt1 11_545 . . 75.70(6) ?
Ca Al1 Pt1 11_545 . 13_555 162.79(8) ?
Ca Al1 Pt2 11_545 . . 74.10(6) ?
Ca Al1 Al1 11_545 . 4_555 62.35(5) ?
Ca Al1 Al1 11_545 . 13_555 130.69(9) ?
Ca Al1 Al1 11_545 . 6_555 57.00(5) ?
Ca Al1 Al2 11_545 . . 107.46(7) ?
Ca Al1 Al2 11_545 . 11_545 53.65(6) ?
Ca Al1 Al3 11_545 . 3_555 126.85(9) ?
Ca Al1 Al4 11_545 . . 64.66(8) ?
Pt1 Al1 Pt1 . . 13_555 112.86(7) ?
Pt1 Al1 Pt2 . . . 111.76(7) ?
Pt1 Al1 Al1 . . 4_555 55.42(5) ?
Pt1 Al1 Al1 . . 13_555 57.35(6) ?
Pt1 Al1 Al1 . . 6_555 106.14(7) ?
Pt1 Al1 Al2 . . . 141.66(10) ?
Pt1 Al1 Al2 . . 11_545 41.68(3) ?
Pt1 Al1 Al3 . . 3_555 137.50(10) ?
Pt1 Al1 Al4 . . . 140.33(10) ?
Pt1 Al1 Pt2 13_555 . . 113.77(7) ?
Pt1 Al1 Al1 13_555 . 4_555 134.87(8) ?
Pt1 Al1 Al1 13_555 . 13_555 55.51(5) ?
Pt1 Al1 Al1 13_555 . 6_555 105.79(6) ?
Pt1 Al1 Al2 13_555 . . 56.29(5) ?
Pt1 Al1 Al2 13_555 . 11_545 122.33(7) ?
Pt1 Al1 Al3 13_555 . 3_555 57.43(6) ?
Pt1 Al1 Al4 13_555 . . 105.86(10) ?
Pt2 Al1 Al1 . . 4_555 56.34(5) ?
Pt2 Al1 Al1 . . 13_555 134.42(9) ?
Pt2 Al1 Al1 . . 6_555 105.76(7) ?
Pt2 Al1 Al2 . . . 105.59(9) ?
Pt2 Al1 Al2 . . 11_545 123.69(7) ?
Pt2 Al1 Al3 . . 3_555 56.48(7) ?
Pt2 Al1 Al4 . . . 56.72(6) ?
Al1 Al1 Al1 4_555 . 13_555 97.87(8) ?
Al1 Al1 Al1 4_555 . 6_555 119.33(7) ?
Al1 Al1 Al2 4_555 . . 160.25(10) ?
Al1 Al1 Al2 4_555 . 11_545 79.77(7) ?
Al1 Al1 Al3 4_555 . 3_555 99.85(9) ?
Al1 Al1 Al4 4_555 . . 101.73(10) ?
Al1 Al1 Al1 13_555 . 6_555 119.83(8) ?
Al1 Al1 Al2 13_555 . . 101.21(8) ?
Al1 Al1 Al2 13_555 . 11_545 79.67(7) ?
Al1 Al1 Al3 13_555 . 3_555 99.65(8) ?
Al1 Al1 Al4 13_555 . . 159.76(11) ?
Al1 Al1 Al2 6_555 . . 53.86(6) ?
Al1 Al1 Al2 6_555 . 11_545 64.49(5) ?
Al1 Al1 Al3 6_555 . 3_555 116.34(9) ?
Al1 Al1 Al4 6_555 . . 53.26(5) ?
Al2 Al1 Al2 . . 11_545 108.54(8) ?
Al2 Al1 Al3 . . 3_555 72.06(9) ?
Al2 Al1 Al4 . . . 58.85(9) ?
Al2 Al1 Al3 11_545 . 3_555 179.15(9) ?
Al2 Al1 Al4 11_545 . . 108.67(7) ?
Al3 Al1 Al4 3_555 . . 72.15(8) ?
Ca Al2 Ca . . 11_555 90.29(8) ?
Ca Al2 Pt1 . . 10_555 73.15(6) ?
Ca Al2 Pt1 . . 13_555 73.15(6) ?
Ca Al2 Al1 . . . 60.71(7) ?
Ca Al2 Al1 . . 11_555 50.17(5) ?
Ca Al2 Al1 . . 6_555 60.71(7) ?
Ca Al2 Al1 . . 16_555 50.17(5) ?
Ca Al2 Al2 . . 3_555 164.81(12) ?
Ca Al2 Al3 . . . 109.00(6) ?
Ca Al2 Al3 . . 2_564 127.85(7) ?
Ca Al2 Al3 . . 3_555 109.00(6) ?
Ca Al2 Al3 . . 4_566 127.85(7) ?
Ca Al2 Al4 . . . 104.25(9) ?
Ca Al2 Pt1 11_555 . 10_555 75.34(6) ?
Ca Al2 Pt1 11_555 . 13_555 75.34(6) ?
Ca Al2 Al1 11_555 . . 130.16(8) ?
Ca Al2 Al1 11_555 . 11_555 50.76(6) ?
Ca Al2 Al1 11_555 . 6_555 130.16(8) ?
Ca Al2 Al1 11_555 . 16_555 50.76(6) ?
Ca Al2 Al2 11_555 . 3_555 104.90(11) ?
Ca Al2 Al3 11_555 . . 110.44(7) ?
Ca Al2 Al3 11_555 . 2_564 62.65(8) ?
Ca Al2 Al3 11_555 . 3_555 110.44(7) ?
Ca Al2 Al3 11_555 . 4_566 62.65(8) ?
Ca Al2 Al4 11_555 . . 165.46(12) ?
Pt1 Al2 Pt1 10_555 . 13_555 134.62(11) ?
Pt1 Al2 Al1 10_555 . . 124.46(10) ?
Pt1 Al2 Al1 10_555 . 11_555 41.85(5) ?
Pt1 Al2 Al1 10_555 . 6_555 58.51(5) ?
Pt1 Al2 Al1 10_555 . 16_555 92.86(8) ?
Pt1 Al2 Al2 10_555 . 3_555 110.27(6) ?
Pt1 Al2 Al3 10_555 . . 51.22(4) ?
Pt1 Al2 Al3 10_555 . 2_564 131.01(11) ?
Pt1 Al2 Al3 10_555 . 3_555 173.58(10) ?
Pt1 Al2 Al3 10_555 . 4_566 57.81(5) ?
Pt1 Al2 Al4 10_555 . . 108.55(6) ?
Pt1 Al2 Al1 13_555 . . 58.51(5) ?
Pt1 Al2 Al1 13_555 . 11_555 92.86(8) ?
Pt1 Al2 Al1 13_555 . 6_555 124.46(10) ?
Pt1 Al2 Al1 13_555 . 16_555 41.85(5) ?
Pt1 Al2 Al2 13_555 . 3_555 110.27(6) ?
Pt1 Al2 Al3 13_555 . . 173.58(10) ?
Pt1 Al2 Al3 13_555 . 2_564 57.81(5) ?
Pt1 Al2 Al3 13_555 . 3_555 51.22(4) ?
Pt1 Al2 Al3 13_555 . 4_566 131.01(11) ?
Pt1 Al2 Al4 13_555 . . 108.55(6) ?
Al1 Al2 Al1 . . 11_555 110.43(9) ?
Al1 Al2 Al1 . . 6_555 72.28(8) ?
Al1 Al2 Al1 . . 16_555 80.85(7) ?
Al1 Al2 Al2 . . 3_555 107.69(10) ?
Al1 Al2 Al3 . . . 116.85(10) ?
Al1 Al2 Al3 . . 2_564 102.33(7) ?
Al1 Al2 Al3 . . 3_555 54.27(6) ?
Al1 Al2 Al3 . . 4_566 166.77(12) ?
Al1 Al2 Al4 . . . 59.85(7) ?
Al1 Al2 Al1 11_555 . 6_555 80.85(7) ?
Al1 Al2 Al1 11_555 . 16_555 51.03(5) ?
Al1 Al2 Al2 11_555 . 3_555 141.69(8) ?
Al1 Al2 Al3 11_555 . . 93.06(5) ?
Al1 Al2 Al3 11_555 . 2_564 112.36(9) ?
Al1 Al2 Al3 11_555 . 3_555 144.07(7) ?
Al1 Al2 Al3 11_555 . 4_566 79.94(6) ?
Al1 Al2 Al4 11_555 . . 140.71(8) ?
Al1 Al2 Al1 6_555 . 16_555 110.43(9) ?
Al1 Al2 Al2 6_555 . 3_555 107.69(10) ?
Al1 Al2 Al3 6_555 . . 54.27(6) ?
Al1 Al2 Al3 6_555 . 2_564 166.77(12) ?
Al1 Al2 Al3 6_555 . 3_555 116.85(10) ?
Al1 Al2 Al3 6_555 . 4_566 102.33(7) ?
Al1 Al2 Al4 6_555 . . 59.85(7) ?
Al1 Al2 Al2 16_555 . 3_555 141.69(8) ?
Al1 Al2 Al3 16_555 . . 144.07(7) ?
Al1 Al2 Al3 16_555 . 2_564 79.94(6) ?
Al1 Al2 Al3 16_555 . 3_555 93.06(5) ?
Al1 Al2 Al3 16_555 . 4_566 112.36(9) ?
Al1 Al2 Al4 16_555 . . 140.71(8) ?
Al2 Al2 Al3 3_555 . . 66.04(5) ?
Al2 Al2 Al3 3_555 . 2_564 61.80(7) ?
Al2 Al2 Al3 3_555 . 3_555 66.04(5) ?
Al2 Al2 Al3 3_555 . 4_566 61.80(7) ?
Al2 Al2 Al4 3_555 . . 60.56(9) ?
Al3 Al2 Al3 . . 2_564 121.74(10) ?
Al3 Al2 Al3 . . 3_555 122.81(9) ?
Al3 Al2 Al3 . . 4_566 52.74(8) ?
Al3 Al2 Al4 . . . 65.15(6) ?
Al3 Al2 Al3 2_564 . 3_555 52.74(8) ?
Al3 Al2 Al3 2_564 . 4_566 80.23(10) ?
Al3 Al2 Al4 2_564 . . 106.93(9) ?
Al3 Al2 Al3 3_555 . 4_566 121.74(10) ?
Al3 Al2 Al4 3_555 . . 65.15(6) ?
Al3 Al2 Al4 4_566 . . 106.93(9) ?
Ca Al3 Ca 10_555 . 12_456 87.61(9) ?
Ca Al3 Pt1 10_555 . 10_555 74.43(4) ?
Ca Al3 Pt1 10_555 . 14_455 155.33(11) ?
Ca Al3 Pt2 10_555 . 2_555 73.87(7) ?
Ca Al3 Al1 10_555 . 3_555 128.26(11) ?
Ca Al3 Al1 10_555 . 6_555 62.79(6) ?
Ca Al3 Al2 10_555 . . 110.14(6) ?
Ca Al3 Al2 10_555 . 2_565 100.99(10) ?
Ca Al3 Al2 10_555 . 3_555 155.03(9) ?
Ca Al3 Al2 10_555 . 4_566 62.38(7) ?
Ca Al3 Al3 10_555 . 3_556 53.55(6) ?
Ca Al3 Al3 10_555 . 4_566 127.46(8) ?
Ca Al3 Al4 10_555 . . 109.42(8) ?
Ca Al3 Al4 10_555 . 2_555 50.38(5) ?
Ca Al3 Pt1 12_456 . 10_555 155.33(11) ?
Ca Al3 Pt1 12_456 . 14_455 74.43(4) ?
Ca Al3 Pt2 12_456 . 2_555 73.87(7) ?
Ca Al3 Al1 12_456 . 3_555 62.79(6) ?
Ca Al3 Al1 12_456 . 6_555 128.26(11) ?
Ca Al3 Al2 12_456 . . 155.03(9) ?
Ca Al3 Al2 12_456 . 2_565 62.38(7) ?
Ca Al3 Al2 12_456 . 3_555 110.14(6) ?
Ca Al3 Al2 12_456 . 4_566 100.99(10) ?
Ca Al3 Al3 12_456 . 3_556 53.55(6) ?
Ca Al3 Al3 12_456 . 4_566 127.46(8) ?
Ca Al3 Al4 12_456 . . 109.42(8) ?
Ca Al3 Al4 12_456 . 2_555 50.38(5) ?
Pt1 Al3 Pt1 10_555 . 14_455 116.49(11) ?
Pt1 Al3 Pt2 10_555 . 2_555 115.60(7) ?
Pt1 Al3 Al1 10_555 . 3_555 141.87(13) ?
Pt1 Al3 Al1 10_555 . 6_555 57.61(4) ?
Pt1 Al3 Al2 10_555 . . 49.64(6) ?
Pt1 Al3 Al2 10_555 . 2_565 104.00(11) ?
Pt1 Al3 Al2 10_555 . 3_555 92.47(9) ?
Pt1 Al3 Al2 10_555 . 4_566 55.82(6) ?
Pt1 Al3 Al3 10_555 . 3_556 101.79(7) ?
Pt1 Al3 Al3 10_555 . 4_566 58.25(5) ?
Pt1 Al3 Al4 10_555 . . 92.70(8) ?
Pt1 Al3 Al4 10_555 . 2_555 121.64(6) ?
Pt1 Al3 Pt2 14_455 . 2_555 115.60(7) ?
Pt1 Al3 Al1 14_455 . 3_555 57.61(4) ?
Pt1 Al3 Al1 14_455 . 6_555 141.87(13) ?
Pt1 Al3 Al2 14_455 . . 92.47(9) ?
Pt1 Al3 Al2 14_455 . 2_565 55.82(6) ?
Pt1 Al3 Al2 14_455 . 3_555 49.64(6) ?
Pt1 Al3 Al2 14_455 . 4_566 104.00(11) ?
Pt1 Al3 Al3 14_455 . 3_556 101.79(7) ?
Pt1 Al3 Al3 14_455 . 4_566 58.25(5) ?
Pt1 Al3 Al4 14_455 . . 92.70(8) ?
Pt1 Al3 Al4 14_455 . 2_555 121.64(6) ?
Pt2 Al3 Al1 2_555 . 3_555 58.13(6) ?
Pt2 Al3 Al1 2_555 . 6_555 58.13(6) ?
Pt2 Al3 Al2 2_555 . . 93.77(9) ?
Pt2 Al3 Al2 2_555 . 2_565 136.19(10) ?
Pt2 Al3 Al2 2_555 . 3_555 93.77(9) ?
Pt2 Al3 Al2 2_555 . 4_566 136.19(10) ?
Pt2 Al3 Al3 2_555 . 3_556 101.96(10) ?
Pt2 Al3 Al3 2_555 . 4_566 145.20(14) ?
Pt2 Al3 Al4 2_555 . . 50.07(7) ?
Pt2 Al3 Al4 2_555 . 2_555 39.44(5) ?
Al1 Al3 Al1 3_555 . 6_555 102.07(11) ?
Al1 Al3 Al2 3_555 . . 92.24(10) ?
Al1 Al3 Al2 3_555 . 2_565 100.74(7) ?
Al1 Al3 Al2 3_555 . 3_555 53.67(7) ?
Al1 Al3 Al2 3_555 . 4_566 157.12(10) ?
Al1 Al3 Al3 3_555 . 3_556 116.34(8) ?
Al1 Al3 Al3 3_555 . 4_566 103.80(9) ?
Al1 Al3 Al4 3_555 . . 53.07(6) ?
Al1 Al3 Al4 3_555 . 2_555 79.01(7) ?
Al1 Al3 Al2 6_555 . . 53.67(7) ?
Al1 Al3 Al2 6_555 . 2_565 157.12(10) ?
Al1 Al3 Al2 6_555 . 3_555 92.24(10) ?
Al1 Al3 Al2 6_555 . 4_566 100.74(7) ?
Al1 Al3 Al3 6_555 . 3_556 116.34(8) ?
Al1 Al3 Al3 6_555 . 4_566 103.80(9) ?
Al1 Al3 Al4 6_555 . . 53.07(6) ?
Al1 Al3 Al4 6_555 . 2_555 79.01(7) ?
Al2 Al3 Al2 . . 2_565 127.26(12) ?
Al2 Al3 Al2 . . 3_555 47.92(7) ?
Al2 Al3 Al2 . . 4_566 102.80(8) ?
Al2 Al3 Al3 . . 3_556 151.40(7) ?
Al2 Al3 Al3 . . 4_566 54.95(9) ?
Al2 Al3 Al4 . . . 48.95(7) ?
Al2 Al3 Al4 . . 2_555 129.04(9) ?
Al2 Al3 Al2 2_565 . 3_555 102.80(8) ?
Al2 Al3 Al2 2_565 . 4_566 56.41(9) ?
Al2 Al3 Al3 2_565 . 3_556 49.88(7) ?
Al2 Al3 Al3 2_565 . 4_566 72.31(10) ?
Al2 Al3 Al4 2_565 . . 148.33(7) ?
Al2 Al3 Al4 2_565 . 2_555 103.66(9) ?
Al2 Al3 Al2 3_555 . 4_566 127.26(12) ?
Al2 Al3 Al3 3_555 . 3_556 151.40(7) ?
Al2 Al3 Al3 3_555 . 4_566 54.95(9) ?
Al2 Al3 Al4 3_555 . . 48.95(7) ?
Al2 Al3 Al4 3_555 . 2_555 129.04(9) ?
Al2 Al3 Al3 4_566 . 3_556 49.88(7) ?
Al2 Al3 Al3 4_566 . 4_566 72.31(10) ?
Al2 Al3 Al4 4_566 . . 148.33(7) ?
Al2 Al3 Al4 4_566 . 2_555 103.66(9) ?
Al3 Al3 Al3 3_556 . 4_566 112.84(12) ?
Al3 Al3 Al4 3_556 . . 152.03(12) ?
Al3 Al3 Al4 3_556 . 2_555 62.52(7) ?
Al3 Al3 Al4 4_566 . . 95.13(12) ?
Al3 Al3 Al4 4_566 . 2_555 175.37(12) ?
Al4 Al3 Al4 . . 2_555 89.51(9) ?
Ca Al4 Ca 9_445 . 11_545 86.75(10) ?
Ca Al4 Pt2 9_445 . . 73.72(6) ?
Ca Al4 Pt2 9_445 . 2_555 73.72(6) ?
Ca Al4 Al1 9_445 . . 128.36(10) ?
Ca Al4 Al1 9_445 . 3_555 61.90(6) ?
Ca Al4 Al1 9_445 . 6_555 128.36(10) ?
Ca Al4 Al1 9_445 . 8_555 61.90(6) ?
Ca Al4 Al2 9_445 . . 166.06(10) ?
Ca Al4 Al2 9_445 . 3_555 107.18(7) ?
Ca Al4 Al3 9_445 . . 109.93(4) ?
Ca Al4 Al3 9_445 . 2_554 49.84(6) ?
Ca Al4 Al3 9_445 . 3_555 109.93(4) ?
Ca Al4 Al3 9_445 . 4_556 49.84(6) ?
Ca Al4 Pt2 11_545 . . 73.72(6) ?
Ca Al4 Pt2 11_545 . 2_555 73.72(6) ?
Ca Al4 Al1 11_545 . . 61.90(6) ?
Ca Al4 Al1 11_545 . 3_555 128.36(10) ?
Ca Al4 Al1 11_545 . 6_555 61.90(6) ?
Ca Al4 Al1 11_545 . 8_555 128.36(10) ?
Ca Al4 Al2 11_545 . . 107.18(7) ?
Ca Al4 Al2 11_545 . 3_555 166.06(10) ?
Ca Al4 Al3 11_545 . . 109.93(4) ?
Ca Al4 Al3 11_545 . 2_554 49.84(6) ?
Ca Al4 Al3 11_545 . 3_555 109.93(4) ?
Ca Al4 Al3 11_545 . 4_556 49.84(6) ?
Pt2 Al4 Pt2 . . 2_555 134.63(15) ?
Pt2 Al4 Al1 . . . 59.19(4) ?
Pt2 Al4 Al1 . . 3_555 126.27(6) ?
Pt2 Al4 Al1 . . 6_555 126.27(6) ?
Pt2 Al4 Al1 . . 8_555 59.19(4) ?
Pt2 Al4 Al2 . . . 109.62(6) ?
Pt2 Al4 Al2 . . 3_555 109.62(6) ?
Pt2 Al4 Al3 . . . 174.71(14) ?
Pt2 Al4 Al3 . . 2_554 39.84(7) ?
Pt2 Al4 Al3 . . 3_555 50.66(5) ?
Pt2 Al4 Al3 . . 4_556 94.79(11) ?
Pt2 Al4 Al1 2_555 . . 126.27(6) ?
Pt2 Al4 Al1 2_555 . 3_555 59.19(4) ?
Pt2 Al4 Al1 2_555 . 6_555 59.19(4) ?
Pt2 Al4 Al1 2_555 . 8_555 126.27(6) ?
Pt2 Al4 Al2 2_555 . . 109.62(6) ?
Pt2 Al4 Al2 2_555 . 3_555 109.62(6) ?
Pt2 Al4 Al3 2_555 . . 50.66(5) ?
Pt2 Al4 Al3 2_555 . 2_554 94.79(11) ?
Pt2 Al4 Al3 2_555 . 3_555 174.71(14) ?
Pt2 Al4 Al3 2_555 . 4_556 39.84(7) ?
Al1 Al4 Al1 . . 3_555 168.18(15) ?
Al1 Al4 Al1 . . 6_555 73.48(6) ?
Al1 Al4 Al1 . . 8_555 105.26(6) ?
Al1 Al4 Al2 . . . 61.30(7) ?
Al1 Al4 Al2 . . 3_555 107.51(11) ?
Al1 Al4 Al3 . . . 118.69(8) ?
Al1 Al4 Al3 . . 2_554 79.36(7) ?
Al1 Al4 Al3 . . 3_555 54.79(5) ?
Al1 Al4 Al3 . . 4_556 111.55(9) ?
Al1 Al4 Al1 3_555 . 6_555 105.26(6) ?
Al1 Al4 Al1 3_555 . 8_555 73.48(6) ?
Al1 Al4 Al2 3_555 . . 107.51(11) ?
Al1 Al4 Al2 3_555 . 3_555 61.30(7) ?
Al1 Al4 Al3 3_555 . . 54.79(5) ?
Al1 Al4 Al3 3_555 . 2_554 111.55(9) ?
Al1 Al4 Al3 3_555 . 3_555 118.69(8) ?
Al1 Al4 Al3 3_555 . 4_556 79.36(7) ?
Al1 Al4 Al1 6_555 . 8_555 168.18(15) ?
Al1 Al4 Al2 6_555 . . 61.30(7) ?
Al1 Al4 Al2 6_555 . 3_555 107.51(11) ?
Al1 Al4 Al3 6_555 . . 54.79(5) ?
Al1 Al4 Al3 6_555 . 2_554 111.55(9) ?
Al1 Al4 Al3 6_555 . 3_555 118.69(8) ?
Al1 Al4 Al3 6_555 . 4_556 79.36(7) ?
Al1 Al4 Al2 8_555 . . 107.51(11) ?
Al1 Al4 Al2 8_555 . 3_555 61.30(7) ?
Al1 Al4 Al3 8_555 . . 118.69(8) ?
Al1 Al4 Al3 8_555 . 2_554 79.36(7) ?
Al1 Al4 Al3 8_555 . 3_555 54.79(5) ?
Al1 Al4 Al3 8_555 . 4_556 111.55(9) ?
Al2 Al4 Al2 . . 3_555 58.88(11) ?
Al2 Al4 Al3 . . . 65.89(7) ?
Al2 Al4 Al3 . . 2_554 140.59(5) ?
Al2 Al4 Al3 . . 3_555 65.89(7) ?
Al2 Al4 Al3 . . 4_556 140.59(5) ?
Al2 Al4 Al3 3_555 . . 65.89(7) ?
Al2 Al4 Al3 3_555 . 2_554 140.59(5) ?
Al2 Al4 Al3 3_555 . 3_555 65.89(7) ?
Al2 Al4 Al3 3_555 . 4_556 140.59(5) ?
Al3 Al4 Al3 . . 2_554 145.45(10) ?
Al3 Al4 Al3 . . 3_555 124.06(13) ?
Al3 Al4 Al3 . . 4_556 90.49(7) ?
Al3 Al4 Al3 2_554 . 3_555 90.49(7) ?
Al3 Al4 Al3 2_554 . 4_556 54.95(8) ?
Al3 Al4 Al3 3_555 . 4_556 145.45(10) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1958808'
loop_
_audit_author_name
_audit_author_address
'Oliver Janka'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-10-11 deposited with the CCDC.	2020-04-22 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Al12 Ca3 Rh4'
_chemical_formula_weight         855.6
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m m c'
_symmetry_space_group_name_Hall  '-P 6c;-2c'
_symmetry_Int_Tables_number      194

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x,-y,z+1/2
5 y,-x+y,z+1/2
6 x-y,x,z+1/2
7 y,x,-z
8 x-y,-y,-z
9 -x,-x+y,-z
10 -y,-x,-z+1/2
11 -x+y,y,-z+1/2
12 x,x-y,-z+1/2
13 -x,-y,-z
14 y,-x+y,-z
15 x-y,x,-z
16 x,y,-z+1/2
17 -y,x-y,-z+1/2
18 -x+y,-x,-z+1/2
19 -y,-x,z
20 -x+y,y,z
21 x,x-y,z
22 y,x,z+1/2
23 x-y,-y,z+1/2
24 -x,-x+y,z+1/2

_cell_length_a                   8.8324(4)
_cell_length_b                   8.8324(4)
_cell_length_c                   9.5325(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     644.01

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            2

_cell_measurement_reflns_used    7396
_cell_measurement_theta_min      4.26
_cell_measurement_theta_max      33.70
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    4.41
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             792

_exptl_absorpt_coefficient_mu    7.0
_exptl_crystal_description       spherical
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            silver
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.6286
_exptl_absorpt_correction_T_max  0.6533
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'IPDS-II Stoe'
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       '??integration method??'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            9802
_diffrn_reflns_theta_min         2.66
_diffrn_reflns_theta_max         33.37
_diffrn_reflns_theta_full        33.37
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measured_fraction_theta_full 0.99
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_unetI/netI     0.0046
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             510
_reflns_number_gt                428
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0112
_refine_ls_wR_factor_gt          0.0270
_refine_ls_R_factor_all          0.0167
_refine_ls_wR_factor_ref         0.0286
_refine_ls_goodness_of_fit_ref   0.95
_refine_ls_goodness_of_fit_gt    0.99
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         510
_refine_ls_number_parameters     27
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(I)+0.0004I²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0001
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.40
_refine_ls_extinction_method     
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       2270(60)
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al 0.0645 0.0514 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ca 0.2262 0.3064 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Rh -1.1178 0.9187 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca Ca 0.19432(3) 0.38864(5) 0.25 Uani 0.00810(11) 6 1 d . . .
Rh1 Rh 0.5 0 0 Uani 0.00572(6) 6 1 d . . .
Rh2 Rh 0 0 0 Uani 0.00554(7) 2 1 d . . .
Al1 Al 0.16167(3) 0.32334(5) 0.57905(5) Uani 0.00694(12) 12 1 d . . .
Al2 Al 0.56097(4) 0.12194(7) 0.25 Uani 0.00660(16) 6 1 d . . .
Al3 Al 0.333333 0.666667 0.00216(8) Uani 0.00755(17) 4 1 d . . .
Al4 Al 0 0 0.25 Uani 0.0082(2) 2 1 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ca Ca . 2_665 3.6835(7) ?
Ca Ca . 3_565 3.6835(7) ?
Ca Rh1 . 2_555 3.3587(4) ?
Ca Rh1 . 3_665 3.3587(3) ?
Ca Rh1 . 5_565 3.3587(4) ?
Ca Rh1 . 6_555 3.3587(3) ?
Ca Rh2 . . 3.8100(5) ?
Ca Rh2 . 4_555 3.8100(5) ?
Ca Al1 . . 3.1762(6) ?
Ca Al1 . 5_554 3.2027(7) ?
Ca Al1 . 6_554 3.2027(6) ?
Ca Al1 . 7_556 3.2027(6) ?
Ca Al1 . 9_556 3.2027(5) ?
Ca Al1 . 11_555 3.1762(6) ?
Ca Al2 . 2_555 3.0404(9) ?
Ca Al2 . 3_665 3.0404(8) ?
Ca Al3 . . 3.1787(7) ?
Ca Al3 . 10_665 3.1787(7) ?
Ca Al4 . . 2.9727(5) ?
Rh1 Al1 . 5_554 2.6962(6) ?
Rh1 Al1 . 6_654 2.6962(5) ?
Rh1 Al1 . 10_655 2.6962(4) ?
Rh1 Al1 . 12_555 2.6962(4) ?
Rh1 Al2 . . 2.5591(3) ?
Rh1 Al2 . 4_654 2.5591(3) ?
Rh1 Al3 . 1_545 2.5498(3) ?
Rh1 Al3 . 7_555 2.5498(3) ?
Rh2 Al1 . 4_554 2.5855(5) ?
Rh2 Al1 . 5_554 2.5855(5) ?
Rh2 Al1 . 6_554 2.5855(5) ?
Rh2 Al1 . 10_555 2.5855(5) ?
Rh2 Al1 . 11_555 2.5855(5) ?
Rh2 Al1 . 12_555 2.5855(5) ?
Rh2 Al4 . . 2.3831(3) ?
Rh2 Al4 . 4_554 2.3831(3) ?
Al1 Al1 . 7_556 2.8963(6) ?
Al1 Al1 . 9_556 2.8963(5) ?
Al1 Al1 . 11_556 3.2591(8) ?
Al1 Al2 . 5_565 2.8143(8) ?
Al1 Al2 . 6_555 2.8143(6) ?
Al1 Al3 . 10_665 2.7379(6) ?
Al1 Al4 . . 3.9945(6) ?
Al1 Al4 . 4_555 2.9618(5) ?
Al2 Al2 . 2_655 2.8007(7) ?
Al2 Al2 . 3_665 2.8007(9) ?
Al2 Al3 . 4_665 2.8970(8) ?
Al2 Al3 . 7_555 2.8970(8) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ca Ca Ca 2_665 . 3_565 60.000(13) ?
Ca Ca Rh1 2_665 . 2_555 96.262(11) ?
Ca Ca Rh1 2_665 . 3_665 56.746(6) ?
Ca Ca Rh1 2_665 . 5_565 96.262(11) ?
Ca Ca Rh1 2_665 . 6_555 56.746(6) ?
Ca Ca Rh2 2_665 . . 132.509(7) ?
Ca Ca Rh2 2_665 . 4_555 132.509(7) ?
Ca Ca Al1 2_665 . . 97.827(6) ?
Ca Ca Al1 2_665 . 5_554 97.762(12) ?
Ca Ca Al1 2_665 . 6_554 143.498(12) ?
Ca Ca Al1 2_665 . 7_556 97.762(11) ?
Ca Ca Al1 2_665 . 9_556 143.498(13) ?
Ca Ca Al1 2_665 . 11_555 97.827(7) ?
Ca Ca Al2 2_665 . 2_555 112.72(2) ?
Ca Ca Al2 2_665 . 3_665 52.717(12) ?
Ca Ca Al3 2_665 . . 54.592(10) ?
Ca Ca Al3 2_665 . 10_665 54.592(10) ?
Ca Ca Al4 2_665 . . 150.000(16) ?
Ca Ca Rh1 3_565 . 2_555 56.746(8) ?
Ca Ca Rh1 3_565 . 3_665 96.262(9) ?
Ca Ca Rh1 3_565 . 5_565 56.746(8) ?
Ca Ca Rh1 3_565 . 6_555 96.262(9) ?
Ca Ca Rh2 3_565 . . 132.509(8) ?
Ca Ca Rh2 3_565 . 4_555 132.509(8) ?
Ca Ca Al1 3_565 . . 97.827(12) ?
Ca Ca Al1 3_565 . 5_554 143.498(10) ?
Ca Ca Al1 3_565 . 6_554 97.762(13) ?
Ca Ca Al1 3_565 . 7_556 143.498(9) ?
Ca Ca Al1 3_565 . 9_556 97.762(15) ?
Ca Ca Al1 3_565 . 11_555 97.827(12) ?
Ca Ca Al2 3_565 . 2_555 52.717(15) ?
Ca Ca Al2 3_565 . 3_665 112.717(13) ?
Ca Ca Al3 3_565 . . 54.592(11) ?
Ca Ca Al3 3_565 . 10_665 54.592(11) ?
Ca Ca Al4 3_565 . . 150.000(11) ?
Rh1 Ca Rh1 2_555 . 3_665 82.209(5) ?
Rh1 Ca Rh1 2_555 . 5_565 90.396(10) ?
Rh1 Ca Rh1 2_555 . 6_555 150.617(13) ?
Rh1 Ca Rh2 2_555 . . 75.763(4) ?
Rh1 Ca Rh2 2_555 . 4_555 129.918(6) ?
Rh1 Ca Al1 2_555 . . 137.783(13) ?
Rh1 Ca Al1 2_555 . 5_554 102.482(10) ?
Rh1 Ca Al1 2_555 . 6_554 48.453(7) ?
Rh1 Ca Al1 2_555 . 7_556 159.749(13) ?
Rh1 Ca Al1 2_555 . 9_556 93.372(11) ?
Rh1 Ca Al1 2_555 . 11_555 48.636(11) ?
Rh1 Ca Al2 2_555 . 2_555 46.821(6) ?
Rh1 Ca Al2 2_555 . 3_665 128.315(5) ?
Rh1 Ca Al3 2_555 . . 45.810(6) ?
Rh1 Ca Al3 2_555 . 10_665 110.958(15) ?
Rh1 Ca Al4 2_555 . . 104.691(5) ?
Rh1 Ca Rh1 3_665 . 5_565 150.617(13) ?
Rh1 Ca Rh1 3_665 . 6_555 90.396(7) ?
Rh1 Ca Rh2 3_665 . . 75.763(7) ?
Rh1 Ca Rh2 3_665 . 4_555 129.918(13) ?
Rh1 Ca Al1 3_665 . . 137.783(10) ?
Rh1 Ca Al1 3_665 . 5_554 48.454(9) ?
Rh1 Ca Al1 3_665 . 6_554 102.482(10) ?
Rh1 Ca Al1 3_665 . 7_556 93.372(13) ?
Rh1 Ca Al1 3_665 . 9_556 159.749(14) ?
Rh1 Ca Al1 3_665 . 11_555 48.636(8) ?
Rh1 Ca Al2 3_665 . 2_555 128.315(10) ?
Rh1 Ca Al2 3_665 . 3_665 46.821(4) ?
Rh1 Ca Al3 3_665 . . 45.810(5) ?
Rh1 Ca Al3 3_665 . 10_665 110.958(10) ?
Rh1 Ca Al4 3_665 . . 104.691(11) ?
Rh1 Ca Rh1 5_565 . 6_555 82.209(5) ?
Rh1 Ca Rh2 5_565 . . 129.918(6) ?
Rh1 Ca Rh2 5_565 . 4_555 75.763(4) ?
Rh1 Ca Al1 5_565 . . 48.636(8) ?
Rh1 Ca Al1 5_565 . 5_554 159.749(14) ?
Rh1 Ca Al1 5_565 . 6_554 93.372(12) ?
Rh1 Ca Al1 5_565 . 7_556 102.482(10) ?
Rh1 Ca Al1 5_565 . 9_556 48.454(10) ?
Rh1 Ca Al1 5_565 . 11_555 137.783(15) ?
Rh1 Ca Al2 5_565 . 2_555 46.821(6) ?
Rh1 Ca Al2 5_565 . 3_665 128.315(5) ?
Rh1 Ca Al3 5_565 . . 110.958(15) ?
Rh1 Ca Al3 5_565 . 10_665 45.810(6) ?
Rh1 Ca Al4 5_565 . . 104.691(5) ?
Rh1 Ca Rh2 6_555 . . 129.918(13) ?
Rh1 Ca Rh2 6_555 . 4_555 75.763(7) ?
Rh1 Ca Al1 6_555 . . 48.636(5) ?
Rh1 Ca Al1 6_555 . 5_554 93.372(13) ?
Rh1 Ca Al1 6_555 . 6_554 159.749(13) ?
Rh1 Ca Al1 6_555 . 7_556 48.453(7) ?
Rh1 Ca Al1 6_555 . 9_556 102.482(10) ?
Rh1 Ca Al1 6_555 . 11_555 137.783(12) ?
Rh1 Ca Al2 6_555 . 2_555 128.315(10) ?
Rh1 Ca Al2 6_555 . 3_665 46.821(4) ?
Rh1 Ca Al3 6_555 . . 110.958(10) ?
Rh1 Ca Al3 6_555 . 10_665 45.810(5) ?
Rh1 Ca Al4 6_555 . . 104.691(11) ?
Rh2 Ca Rh2 . . 4_555 77.435(9) ?
Rh2 Ca Al1 . . . 119.670(13) ?
Rh2 Ca Al1 . . 5_554 42.166(8) ?
Rh2 Ca Al1 . . 6_554 42.166(9) ?
Rh2 Ca Al1 . . 7_556 83.991(13) ?
Rh2 Ca Al1 . . 9_556 83.990(11) ?
Rh2 Ca Al1 . . 11_555 42.235(8) ?
Rh2 Ca Al2 . . 2_555 95.677(10) ?
Rh2 Ca Al2 . . 3_665 95.677(11) ?
Rh2 Ca Al3 . . . 93.275(11) ?
Rh2 Ca Al3 . . 10_665 170.710(13) ?
Rh2 Ca Al4 . . . 38.718(4) ?
Rh2 Ca Al1 4_555 . . 42.235(8) ?
Rh2 Ca Al1 4_555 . 5_554 83.990(13) ?
Rh2 Ca Al1 4_555 . 6_554 83.991(10) ?
Rh2 Ca Al1 4_555 . 7_556 42.166(8) ?
Rh2 Ca Al1 4_555 . 9_556 42.166(9) ?
Rh2 Ca Al1 4_555 . 11_555 119.670(13) ?
Rh2 Ca Al2 4_555 . 2_555 95.677(10) ?
Rh2 Ca Al2 4_555 . 3_665 95.677(11) ?
Rh2 Ca Al3 4_555 . . 170.710(13) ?
Rh2 Ca Al3 4_555 . 10_665 93.275(11) ?
Rh2 Ca Al4 4_555 . . 38.718(4) ?
Al1 Ca Al1 . . 5_554 114.660(18) ?
Al1 Ca Al1 . . 6_554 114.660(11) ?
Al1 Ca Al1 . . 7_556 54.004(13) ?
Al1 Ca Al1 . . 9_556 54.004(9) ?
Al1 Ca Al1 . . 11_555 161.905(17) ?
Al1 Ca Al2 . . 2_555 91.142(9) ?
Al1 Ca Al2 . . 3_665 91.142(8) ?
Al1 Ca Al3 . . . 147.055(17) ?
Al1 Ca Al3 . . 10_665 51.040(12) ?
Al1 Ca Al4 . . . 80.952(10) ?
Al1 Ca Al1 5_554 . 6_554 83.946(13) ?
Al1 Ca Al1 5_554 . 7_556 61.169(16) ?
Al1 Ca Al1 5_554 . 9_556 114.350(16) ?
Al1 Ca Al1 5_554 . 11_555 54.004(14) ?
Al1 Ca Al2 5_554 . 2_555 137.063(12) ?
Al1 Ca Al2 5_554 . 3_665 53.511(10) ?
Al1 Ca Al3 5_554 . . 89.112(12) ?
Al1 Ca Al3 5_554 . 10_665 137.802(12) ?
Al1 Ca Al4 5_554 . . 57.175(10) ?
Al1 Ca Al1 6_554 . 7_556 114.350(15) ?
Al1 Ca Al1 6_554 . 9_556 61.169(13) ?
Al1 Ca Al1 6_554 . 11_555 54.004(12) ?
Al1 Ca Al2 6_554 . 2_555 53.511(13) ?
Al1 Ca Al2 6_554 . 3_665 137.063(15) ?
Al1 Ca Al3 6_554 . . 89.112(12) ?
Al1 Ca Al3 6_554 . 10_665 137.802(15) ?
Al1 Ca Al4 6_554 . . 57.175(8) ?
Al1 Ca Al1 7_556 . 9_556 83.946(14) ?
Al1 Ca Al1 7_556 . 11_555 114.660(18) ?
Al1 Ca Al2 7_556 . 2_555 137.063(12) ?
Al1 Ca Al2 7_556 . 3_665 53.511(10) ?
Al1 Ca Al3 7_556 . . 137.802(12) ?
Al1 Ca Al3 7_556 . 10_665 89.112(11) ?
Al1 Ca Al4 7_556 . . 57.175(10) ?
Al1 Ca Al1 9_556 . 11_555 114.660(12) ?
Al1 Ca Al2 9_556 . 2_555 53.511(13) ?
Al1 Ca Al2 9_556 . 3_665 137.063(15) ?
Al1 Ca Al3 9_556 . . 137.802(15) ?
Al1 Ca Al3 9_556 . 10_665 89.112(13) ?
Al1 Ca Al4 9_556 . . 57.175(10) ?
Al1 Ca Al2 11_555 . 2_555 91.142(12) ?
Al1 Ca Al2 11_555 . 3_665 91.142(11) ?
Al1 Ca Al3 11_555 . . 51.040(12) ?
Al1 Ca Al3 11_555 . 10_665 147.055(17) ?
Al1 Ca Al4 11_555 . . 80.952(10) ?
Al2 Ca Al2 2_555 . 3_665 165.433(19) ?
Al2 Ca Al3 2_555 . . 85.134(12) ?
Al2 Ca Al3 2_555 . 10_665 85.134(12) ?
Al2 Ca Al4 2_555 . . 97.283(13) ?
Al2 Ca Al3 3_665 . . 85.135(6) ?
Al2 Ca Al3 3_665 . 10_665 85.135(6) ?
Al2 Ca Al4 3_665 . . 97.283(15) ?
Al3 Ca Al3 . . 10_665 96.015(18) ?
Al3 Ca Al4 . . . 131.992(11) ?
Al3 Ca Al4 10_665 . . 131.992(11) ?
Ca Rh1 Ca 2_655 . 3_555 66.508(11) ?
Ca Rh1 Ca 2_655 . 5_554 180 ?
Ca Rh1 Ca 2_655 . 6_654 113.492(11) ?
Ca Rh1 Al1 2_655 . 5_554 117.854(13) ?
Ca Rh1 Al1 2_655 . 6_654 62.750(10) ?
Ca Rh1 Al1 2_655 . 10_655 62.146(13) ?
Ca Rh1 Al1 2_655 . 12_555 117.250(12) ?
Ca Rh1 Al2 2_655 . . 60.036(16) ?
Ca Rh1 Al2 2_655 . 4_654 119.964(16) ?
Ca Rh1 Al3 2_655 . 1_545 63.368(15) ?
Ca Rh1 Al3 2_655 . 7_555 116.633(15) ?
Ca Rh1 Ca 3_555 . 5_554 113.492(11) ?
Ca Rh1 Ca 3_555 . 6_654 180 ?
Ca Rh1 Al1 3_555 . 5_554 62.750(12) ?
Ca Rh1 Al1 3_555 . 6_654 117.854(13) ?
Ca Rh1 Al1 3_555 . 10_655 117.250(11) ?
Ca Rh1 Al1 3_555 . 12_555 62.146(13) ?
Ca Rh1 Al2 3_555 . . 60.036(8) ?
Ca Rh1 Al2 3_555 . 4_654 119.964(8) ?
Ca Rh1 Al3 3_555 . 1_545 63.367(15) ?
Ca Rh1 Al3 3_555 . 7_555 116.633(15) ?
Ca Rh1 Ca 5_554 . 6_654 66.508(11) ?
Ca Rh1 Al1 5_554 . 5_554 62.146(13) ?
Ca Rh1 Al1 5_554 . 6_654 117.250(10) ?
Ca Rh1 Al1 5_554 . 10_655 117.854(13) ?
Ca Rh1 Al1 5_554 . 12_555 62.750(12) ?
Ca Rh1 Al2 5_554 . . 119.964(16) ?
Ca Rh1 Al2 5_554 . 4_654 60.036(16) ?
Ca Rh1 Al3 5_554 . 1_545 116.633(15) ?
Ca Rh1 Al3 5_554 . 7_555 63.367(15) ?
Ca Rh1 Al1 6_654 . 5_554 117.250(12) ?
Ca Rh1 Al1 6_654 . 6_654 62.146(13) ?
Ca Rh1 Al1 6_654 . 10_655 62.750(11) ?
Ca Rh1 Al1 6_654 . 12_555 117.854(13) ?
Ca Rh1 Al2 6_654 . . 119.964(8) ?
Ca Rh1 Al2 6_654 . 4_654 60.036(8) ?
Ca Rh1 Al3 6_654 . 1_545 116.633(15) ?
Ca Rh1 Al3 6_654 . 7_555 63.367(15) ?
Al1 Rh1 Al1 5_554 . 6_654 115.027(12) ?
Al1 Rh1 Al1 5_554 . 10_655 180 ?
Al1 Rh1 Al1 5_554 . 12_555 64.973(14) ?
Al1 Rh1 Al2 5_554 . . 64.696(17) ?
Al1 Rh1 Al2 5_554 . 4_654 115.304(17) ?
Al1 Rh1 Al3 5_554 . 1_545 117.154(10) ?
Al1 Rh1 Al3 5_554 . 7_555 62.846(10) ?
Al1 Rh1 Al1 6_654 . 10_655 64.973(12) ?
Al1 Rh1 Al1 6_654 . 12_555 180 ?
Al1 Rh1 Al2 6_654 . . 64.696(13) ?
Al1 Rh1 Al2 6_654 . 4_654 115.304(13) ?
Al1 Rh1 Al3 6_654 . 1_545 117.154(9) ?
Al1 Rh1 Al3 6_654 . 7_555 62.846(9) ?
Al1 Rh1 Al1 10_655 . 12_555 115.027(13) ?
Al1 Rh1 Al2 10_655 . . 115.304(17) ?
Al1 Rh1 Al2 10_655 . 4_654 64.696(17) ?
Al1 Rh1 Al3 10_655 . 1_545 62.846(8) ?
Al1 Rh1 Al3 10_655 . 7_555 117.154(8) ?
Al1 Rh1 Al2 12_555 . . 115.304(13) ?
Al1 Rh1 Al2 12_555 . 4_654 64.696(13) ?
Al1 Rh1 Al3 12_555 . 1_545 62.846(12) ?
Al1 Rh1 Al3 12_555 . 7_555 117.154(12) ?
Al2 Rh1 Al2 . . 4_654 180 ?
Al2 Rh1 Al3 . . 1_545 110.91(2) ?
Al2 Rh1 Al3 . . 7_555 69.09(2) ?
Al2 Rh1 Al3 4_654 . 1_545 69.09(2) ?
Al2 Rh1 Al3 4_654 . 7_555 110.91(2) ?
Al3 Rh1 Al3 1_545 . 7_555 180 ?
Ca Rh2 Ca . . 2_555 85.018(7) ?
Ca Rh2 Ca . . 3_555 85.018(7) ?
Ca Rh2 Ca . . 4_554 180 ?
Ca Rh2 Ca . . 5_554 94.982(7) ?
Ca Rh2 Ca . . 6_554 94.982(7) ?
Ca Rh2 Al1 . . 4_554 124.337(12) ?
Ca Rh2 Al1 . . 5_554 56.256(13) ?
Ca Rh2 Al1 . . 6_554 56.256(11) ?
Ca Rh2 Al1 . . 10_555 123.744(10) ?
Ca Rh2 Al1 . . 11_555 55.663(12) ?
Ca Rh2 Al1 . . 12_555 123.744(9) ?
Ca Rh2 Al4 . . . 51.282(4) ?
Ca Rh2 Al4 . . 4_554 128.718(4) ?
Ca Rh2 Ca 2_555 . 3_555 85.018(10) ?
Ca Rh2 Ca 2_555 . 4_554 94.982(7) ?
Ca Rh2 Ca 2_555 . 5_554 180 ?
Ca Rh2 Ca 2_555 . 6_554 94.982(10) ?
Ca Rh2 Al1 2_555 . 4_554 56.256(12) ?
Ca Rh2 Al1 2_555 . 5_554 124.337(12) ?
Ca Rh2 Al1 2_555 . 6_554 56.256(12) ?
Ca Rh2 Al1 2_555 . 10_555 55.663(12) ?
Ca Rh2 Al1 2_555 . 11_555 123.744(15) ?
Ca Rh2 Al1 2_555 . 12_555 123.744(13) ?
Ca Rh2 Al4 2_555 . . 51.282(4) ?
Ca Rh2 Al4 2_555 . 4_554 128.718(4) ?
Ca Rh2 Ca 3_555 . 4_554 94.982(7) ?
Ca Rh2 Ca 3_555 . 5_554 94.982(10) ?
Ca Rh2 Ca 3_555 . 6_554 180 ?
Ca Rh2 Al1 3_555 . 4_554 56.256(9) ?
Ca Rh2 Al1 3_555 . 5_554 56.256(12) ?
Ca Rh2 Al1 3_555 . 6_554 124.337(12) ?
Ca Rh2 Al1 3_555 . 10_555 123.744(10) ?
Ca Rh2 Al1 3_555 . 11_555 123.744(12) ?
Ca Rh2 Al1 3_555 . 12_555 55.663(12) ?
Ca Rh2 Al4 3_555 . . 51.282(5) ?
Ca Rh2 Al4 3_555 . 4_554 128.718(5) ?
Ca Rh2 Ca 4_554 . 5_554 85.018(7) ?
Ca Rh2 Ca 4_554 . 6_554 85.018(7) ?
Ca Rh2 Al1 4_554 . 4_554 55.663(12) ?
Ca Rh2 Al1 4_554 . 5_554 123.744(13) ?
Ca Rh2 Al1 4_554 . 6_554 123.744(11) ?
Ca Rh2 Al1 4_554 . 10_555 56.256(10) ?
Ca Rh2 Al1 4_554 . 11_555 124.337(12) ?
Ca Rh2 Al1 4_554 . 12_555 56.256(9) ?
Ca Rh2 Al4 4_554 . . 128.718(4) ?
Ca Rh2 Al4 4_554 . 4_554 51.282(4) ?
Ca Rh2 Ca 5_554 . 6_554 85.018(10) ?
Ca Rh2 Al1 5_554 . 4_554 123.744(12) ?
Ca Rh2 Al1 5_554 . 5_554 55.663(12) ?
Ca Rh2 Al1 5_554 . 6_554 123.744(12) ?
Ca Rh2 Al1 5_554 . 10_555 124.337(12) ?
Ca Rh2 Al1 5_554 . 11_555 56.256(15) ?
Ca Rh2 Al1 5_554 . 12_555 56.256(13) ?
Ca Rh2 Al4 5_554 . . 128.718(4) ?
Ca Rh2 Al4 5_554 . 4_554 51.282(4) ?
Ca Rh2 Al1 6_554 . 4_554 123.744(9) ?
Ca Rh2 Al1 6_554 . 5_554 123.744(12) ?
Ca Rh2 Al1 6_554 . 6_554 55.663(12) ?
Ca Rh2 Al1 6_554 . 10_555 56.256(10) ?
Ca Rh2 Al1 6_554 . 11_555 56.256(12) ?
Ca Rh2 Al1 6_554 . 12_555 124.337(12) ?
Ca Rh2 Al4 6_554 . . 128.718(5) ?
Ca Rh2 Al4 6_554 . 4_554 51.282(5) ?
Al1 Rh2 Al1 4_554 . 5_554 111.875(14) ?
Al1 Rh2 Al1 4_554 . 6_554 111.875(11) ?
Al1 Rh2 Al1 4_554 . 10_555 68.125(11) ?
Al1 Rh2 Al1 4_554 . 11_555 180 ?
Al1 Rh2 Al1 4_554 . 12_555 68.125(12) ?
Al1 Rh2 Al4 4_554 . . 73.055(11) ?
Al1 Rh2 Al4 4_554 . 4_554 106.945(11) ?
Al1 Rh2 Al1 5_554 . 6_554 111.875(15) ?
Al1 Rh2 Al1 5_554 . 10_555 180 ?
Al1 Rh2 Al1 5_554 . 11_555 68.125(16) ?
Al1 Rh2 Al1 5_554 . 12_555 68.125(14) ?
Al1 Rh2 Al4 5_554 . . 73.055(11) ?
Al1 Rh2 Al4 5_554 . 4_554 106.945(11) ?
Al1 Rh2 Al1 6_554 . 10_555 68.125(12) ?
Al1 Rh2 Al1 6_554 . 11_555 68.125(14) ?
Al1 Rh2 Al1 6_554 . 12_555 180 ?
Al1 Rh2 Al4 6_554 . . 73.055(11) ?
Al1 Rh2 Al4 6_554 . 4_554 106.945(11) ?
Al1 Rh2 Al1 10_555 . 11_555 111.875(14) ?
Al1 Rh2 Al1 10_555 . 12_555 111.875(11) ?
Al1 Rh2 Al4 10_555 . . 106.945(11) ?
Al1 Rh2 Al4 10_555 . 4_554 73.055(11) ?
Al1 Rh2 Al1 11_555 . 12_555 111.875(15) ?
Al1 Rh2 Al4 11_555 . . 106.945(11) ?
Al1 Rh2 Al4 11_555 . 4_554 73.055(11) ?
Al1 Rh2 Al4 12_555 . . 106.945(11) ?
Al1 Rh2 Al4 12_555 . 4_554 73.055(11) ?
Al4 Rh2 Al4 . . 4_554 180 ?
Ca Al1 Ca . . 5_555 123.431(15) ?
Ca Al1 Ca . . 6_555 123.431(13) ?
Ca Al1 Rh1 . . 5_565 69.217(14) ?
Ca Al1 Rh1 . . 6_555 69.217(11) ?
Ca Al1 Rh2 . . 4_555 82.103(15) ?
Ca Al1 Al1 . . 7_556 63.465(16) ?
Ca Al1 Al1 . . 9_556 63.465(14) ?
Ca Al1 Al1 . . 11_556 170.952(16) ?
Ca Al1 Al2 . . 5_565 118.05(2) ?
Ca Al1 Al2 . . 6_555 118.051(12) ?
Ca Al1 Al3 . . 10_665 64.53(2) ?
Ca Al1 Al4 . . . 47.303(10) ?
Ca Al1 Al4 . . 4_555 132.428(16) ?
Ca Al1 Ca 5_555 . 6_555 106.997(16) ?
Ca Al1 Rh1 5_555 . 5_565 162.738(19) ?
Ca Al1 Rh1 5_555 . 6_555 68.797(9) ?
Ca Al1 Rh2 5_555 . 4_555 81.578(14) ?
Ca Al1 Al1 5_555 . 7_556 62.531(14) ?
Ca Al1 Al1 5_555 . 9_556 136.691(18) ?
Ca Al1 Al1 5_555 . 11_556 59.415(14) ?
Ca Al1 Al2 5_555 . 5_565 107.72(2) ?
Ca Al1 Al2 5_555 . 6_555 60.292(16) ?
Ca Al1 Al3 5_555 . 10_665 116.068(12) ?
Ca Al1 Al4 5_555 . . 102.049(13) ?
Ca Al1 Al4 5_555 . 4_555 57.503(11) ?
Ca Al1 Rh1 6_555 . 5_565 68.797(10) ?
Ca Al1 Rh1 6_555 . 6_555 162.738(18) ?
Ca Al1 Rh2 6_555 . 4_555 81.577(8) ?
Ca Al1 Al1 6_555 . 7_556 136.691(14) ?
Ca Al1 Al1 6_555 . 9_556 62.530(11) ?
Ca Al1 Al1 6_555 . 11_556 59.415(12) ?
Ca Al1 Al2 6_555 . 5_565 60.292(13) ?
Ca Al1 Al2 6_555 . 6_555 107.721(19) ?
Ca Al1 Al3 6_555 . 10_665 116.068(17) ?
Ca Al1 Al4 6_555 . . 102.049(8) ?
Ca Al1 Al4 6_555 . 4_555 57.503(9) ?
Rh1 Al1 Rh1 5_565 . 6_555 109.963(15) ?
Rh1 Al1 Rh2 5_565 . 4_555 113.451(12) ?
Rh1 Al1 Al1 5_565 . 7_556 132.39(2) ?
Rh1 Al1 Al1 5_565 . 9_556 57.513(13) ?
Rh1 Al1 Al1 5_565 . 11_556 106.229(18) ?
Rh1 Al1 Al2 5_565 . 5_565 55.294(14) ?
Rh1 Al1 Al2 5_565 . 6_555 104.220(19) ?
Rh1 Al1 Al3 5_565 . 10_665 55.961(10) ?
Rh1 Al1 Al4 5_565 . . 95.212(12) ?
Rh1 Al1 Al4 5_565 . 4_555 124.909(10) ?
Rh1 Al1 Rh2 6_555 . 4_555 113.451(16) ?
Rh1 Al1 Al1 6_555 . 7_556 57.513(9) ?
Rh1 Al1 Al1 6_555 . 9_556 132.39(2) ?
Rh1 Al1 Al1 6_555 . 11_556 106.230(14) ?
Rh1 Al1 Al2 6_555 . 5_565 104.220(15) ?
Rh1 Al1 Al2 6_555 . 6_555 55.294(11) ?
Rh1 Al1 Al3 6_555 . 10_665 55.961(7) ?
Rh1 Al1 Al4 6_555 . . 95.212(13) ?
Rh1 Al1 Al4 6_555 . 4_555 124.909(15) ?
Rh2 Al1 Al1 4_555 . 7_556 55.938(11) ?
Rh2 Al1 Al1 4_555 . 9_556 55.937(12) ?
Rh2 Al1 Al1 4_555 . 11_556 106.945(16) ?
Rh2 Al1 Al2 4_555 . 5_565 141.867(15) ?
Rh2 Al1 Al2 4_555 . 6_555 141.87(2) ?
Rh2 Al1 Al3 4_555 . 10_665 146.63(3) ?
Rh2 Al1 Al4 4_555 . . 34.799(7) ?
Rh2 Al1 Al4 4_555 . 4_555 50.325(8) ?
Al1 Al1 Al1 7_556 . 9_556 95.384(19) ?
Al1 Al1 Al1 7_556 . 11_556 121.36(2) ?
Al1 Al1 Al2 7_556 . 5_565 160.918(15) ?
Al1 Al1 Al2 7_556 . 6_555 102.069(18) ?
Al1 Al1 Al3 7_556 . 10_665 105.213(17) ?
Al1 Al1 Al4 7_556 . . 47.702(11) ?
Al1 Al1 Al4 7_556 . 4_555 85.972(14) ?
Al1 Al1 Al1 9_556 . 11_556 121.356(16) ?
Al1 Al1 Al2 9_556 . 5_565 102.069(19) ?
Al1 Al1 Al2 9_556 . 6_555 160.92(2) ?
Al1 Al1 Al3 9_556 . 10_665 105.21(2) ?
Al1 Al1 Al4 9_556 . . 47.702(12) ?
Al1 Al1 Al4 9_556 . 4_555 85.972(12) ?
Al1 Al1 Al2 11_556 . 5_565 54.617(16) ?
Al1 Al1 Al2 11_556 . 6_555 54.618(12) ?
Al1 Al1 Al3 11_556 . 10_665 106.42(2) ?
Al1 Al1 Al4 11_556 . . 141.744(14) ?
Al1 Al1 Al4 11_556 . 4_555 56.620(11) ?
Al2 Al1 Al2 5_565 . 6_555 59.68(2) ?
Al2 Al1 Al3 5_565 . 10_665 62.885(18) ?
Al2 Al1 Al4 5_565 . . 148.714(17) ?
Al2 Al1 Al4 5_565 . 4_555 102.753(17) ?
Al2 Al1 Al3 6_555 . 10_665 62.885(16) ?
Al2 Al1 Al4 6_555 . . 148.714(17) ?
Al2 Al1 Al4 6_555 . 4_555 102.753(17) ?
Al3 Al1 Al4 10_665 . . 111.83(2) ?
Al3 Al1 Al4 10_665 . 4_555 163.05(3) ?
Al4 Al1 Al4 . . 4_555 85.124(10) ?
Ca Al2 Ca 2_655 . 3_555 74.567(17) ?
Ca Al2 Rh1 2_655 . . 73.143(15) ?
Ca Al2 Rh1 2_655 . 4_655 73.143(15) ?
Ca Al2 Al1 2_655 . 5_554 125.131(17) ?
Ca Al2 Al1 2_655 . 6_654 66.197(15) ?
Ca Al2 Al1 2_655 . 7_556 125.131(15) ?
Ca Al2 Al1 2_655 . 9_656 66.196(17) ?
Ca Al2 Al2 2_655 . 2_655 112.72(2) ?
Ca Al2 Al2 2_655 . 3_665 172.717(18) ?
Ca Al2 Al3 2_655 . 4_665 116.366(14) ?
Ca Al2 Al3 2_655 . 7_555 116.366(14) ?
Ca Al2 Rh1 3_555 . . 73.143(8) ?
Ca Al2 Rh1 3_555 . 4_655 73.143(8) ?
Ca Al2 Al1 3_555 . 5_554 66.196(12) ?
Ca Al2 Al1 3_555 . 6_654 125.131(19) ?
Ca Al2 Al1 3_555 . 7_556 66.197(11) ?
Ca Al2 Al1 3_555 . 9_656 125.13(2) ?
Ca Al2 Al2 3_555 . 2_655 172.72(3) ?
Ca Al2 Al2 3_555 . 3_665 112.72(2) ?
Ca Al2 Al3 3_555 . 4_665 116.366(10) ?
Ca Al2 Al3 3_555 . 7_555 116.366(10) ?
Rh1 Al2 Rh1 . . 4_655 137.25(2) ?
Rh1 Al2 Al1 . . 5_554 60.010(12) ?
Rh1 Al2 Al1 . . 6_654 60.010(11) ?
Rh1 Al2 Al1 . . 7_556 125.350(15) ?
Rh1 Al2 Al1 . . 9_656 125.35(2) ?
Rh1 Al2 Al2 . . 2_655 108.399(7) ?
Rh1 Al2 Al2 . . 3_665 108.399(15) ?
Rh1 Al2 Al3 . . 4_665 167.45(2) ?
Rh1 Al2 Al3 . . 7_555 55.303(10) ?
Rh1 Al2 Al1 4_655 . 5_554 125.350(15) ?
Rh1 Al2 Al1 4_655 . 6_654 125.35(2) ?
Rh1 Al2 Al1 4_655 . 7_556 60.010(10) ?
Rh1 Al2 Al1 4_655 . 9_656 60.010(11) ?
Rh1 Al2 Al2 4_655 . 2_655 108.399(7) ?
Rh1 Al2 Al2 4_655 . 3_665 108.399(15) ?
Rh1 Al2 Al3 4_655 . 4_665 55.303(10) ?
Rh1 Al2 Al3 4_655 . 7_555 167.45(2) ?
Al1 Al2 Al1 5_554 . 6_654 107.825(15) ?
Al1 Al2 Al1 5_554 . 7_556 70.765(19) ?
Al1 Al2 Al1 5_554 . 9_656 167.60(3) ?
Al1 Al2 Al2 5_554 . 2_655 108.09(2) ?
Al1 Al2 Al2 5_554 . 3_665 60.160(18) ?
Al1 Al2 Al3 5_554 . 4_665 114.85(2) ?
Al1 Al2 Al3 5_554 . 7_555 57.268(12) ?
Al1 Al2 Al1 6_654 . 7_556 167.60(2) ?
Al1 Al2 Al1 6_654 . 9_656 70.765(17) ?
Al1 Al2 Al2 6_654 . 2_655 60.160(15) ?
Al1 Al2 Al2 6_654 . 3_665 108.092(17) ?
Al1 Al2 Al3 6_654 . 4_665 114.845(13) ?
Al1 Al2 Al3 6_654 . 7_555 57.267(10) ?
Al1 Al2 Al1 7_556 . 9_656 107.825(15) ?
Al1 Al2 Al2 7_556 . 2_655 108.09(2) ?
Al1 Al2 Al2 7_556 . 3_665 60.160(17) ?
Al1 Al2 Al3 7_556 . 4_665 57.267(12) ?
Al1 Al2 Al3 7_556 . 7_555 114.85(2) ?
Al1 Al2 Al2 9_656 . 2_655 60.160(16) ?
Al1 Al2 Al2 9_656 . 3_665 108.092(19) ?
Al1 Al2 Al3 9_656 . 4_665 57.267(11) ?
Al1 Al2 Al3 9_656 . 7_555 114.845(13) ?
Al2 Al2 Al2 2_655 . 3_665 60.00(2) ?
Al2 Al2 Al3 2_655 . 4_665 61.094(12) ?
Al2 Al2 Al3 2_655 . 7_555 61.094(12) ?
Al2 Al2 Al3 3_665 . 4_665 61.094(14) ?
Al2 Al2 Al3 3_665 . 7_555 61.094(14) ?
Al3 Al2 Al3 4_665 . 7_555 112.14(2) ?
Ca Al3 Ca . . 2_665 70.816(17) ?
Ca Al3 Ca . . 3_565 70.816(17) ?
Ca Al3 Rh1 . . 1_565 132.46(3) ?
Ca Al3 Rh1 . . 2_555 70.822(11) ?
Ca Al3 Rh1 . . 3_665 70.822(13) ?
Ca Al3 Al1 . . 10_665 122.074(17) ?
Ca Al3 Al1 . . 11_555 64.433(14) ?
Ca Al3 Al1 . . 12_565 122.075(17) ?
Ca Al3 Al2 . . 4_664 171.94(2) ?
Ca Al3 Al2 . . 5_564 115.466(11) ?
Ca Al3 Al2 . . 6_554 115.466(10) ?
Ca Al3 Ca 2_665 . 3_565 70.816(19) ?
Ca Al3 Rh1 2_665 . 1_565 70.822(13) ?
Ca Al3 Rh1 2_665 . 2_555 132.46(3) ?
Ca Al3 Rh1 2_665 . 3_665 70.822(15) ?
Ca Al3 Al1 2_665 . 10_665 64.433(14) ?
Ca Al3 Al1 2_665 . 11_555 122.07(2) ?
Ca Al3 Al1 2_665 . 12_565 122.074(19) ?
Ca Al3 Al2 2_665 . 4_664 115.466(9) ?
Ca Al3 Al2 2_665 . 5_564 171.94(2) ?
Ca Al3 Al2 2_665 . 6_554 115.466(15) ?
Ca Al3 Rh1 3_565 . 1_565 70.822(11) ?
Ca Al3 Rh1 3_565 . 2_555 70.822(12) ?
Ca Al3 Rh1 3_565 . 3_665 132.46(3) ?
Ca Al3 Al1 3_565 . 10_665 122.075(17) ?
Ca Al3 Al1 3_565 . 11_555 122.074(18) ?
Ca Al3 Al1 3_565 . 12_565 64.433(14) ?
Ca Al3 Al2 3_565 . 4_664 115.466(13) ?
Ca Al3 Al2 3_565 . 5_564 115.466(17) ?
Ca Al3 Al2 3_565 . 6_554 171.94(2) ?
Rh1 Al3 Rh1 1_565 . 2_555 119.994(3) ?
Rh1 Al3 Rh1 1_565 . 3_665 119.993(4) ?
Rh1 Al3 Al1 1_565 . 10_665 61.193(8) ?
Rh1 Al3 Al1 1_565 . 11_555 163.11(3) ?
Rh1 Al3 Al1 1_565 . 12_565 61.193(8) ?
Rh1 Al3 Al2 1_565 . 4_664 55.609(13) ?
Rh1 Al3 Al2 1_565 . 5_564 105.81(2) ?
Rh1 Al3 Al2 1_565 . 6_554 105.81(2) ?
Rh1 Al3 Rh1 2_555 . 3_665 119.993(4) ?
Rh1 Al3 Al1 2_555 . 10_665 163.11(3) ?
Rh1 Al3 Al1 2_555 . 11_555 61.193(12) ?
Rh1 Al3 Al1 2_555 . 12_565 61.193(7) ?
Rh1 Al3 Al2 2_555 . 4_664 105.81(2) ?
Rh1 Al3 Al2 2_555 . 5_564 55.609(13) ?
Rh1 Al3 Al2 2_555 . 6_554 105.81(2) ?
Rh1 Al3 Al1 3_665 . 10_665 61.193(8) ?
Rh1 Al3 Al1 3_665 . 11_555 61.193(12) ?
Rh1 Al3 Al1 3_665 . 12_565 163.11(3) ?
Rh1 Al3 Al2 3_665 . 4_664 105.81(2) ?
Rh1 Al3 Al2 3_665 . 5_564 105.81(2) ?
Rh1 Al3 Al2 3_665 . 6_554 55.608(14) ?
Al1 Al3 Al1 10_665 . 11_555 112.338(19) ?
Al1 Al3 Al1 10_665 . 12_565 112.338(17) ?
Al1 Al3 Al2 10_665 . 4_664 59.847(16) ?
Al1 Al3 Al2 10_665 . 5_564 107.50(3) ?
Al1 Al3 Al2 10_665 . 6_554 59.847(17) ?
Al1 Al3 Al1 11_555 . 12_565 112.34(2) ?
Al1 Al3 Al2 11_555 . 4_664 107.50(3) ?
Al1 Al3 Al2 11_555 . 5_564 59.85(2) ?
Al1 Al3 Al2 11_555 . 6_554 59.847(16) ?
Al1 Al3 Al2 12_565 . 4_664 59.847(18) ?
Al1 Al3 Al2 12_565 . 5_564 59.85(2) ?
Al1 Al3 Al2 12_565 . 6_554 107.50(3) ?
Al2 Al3 Al2 4_664 . 5_564 57.813(18) ?
Al2 Al3 Al2 4_664 . 6_554 57.81(2) ?
Al2 Al3 Al2 5_564 . 6_554 57.81(2) ?
Ca Al4 Ca . . 2_555 120.000(13) ?
Ca Al4 Ca . . 3_555 120.000(9) ?
Ca Al4 Rh2 . . . 90 ?
Ca Al4 Rh2 . . 4_555 90 ?
Ca Al4 Al1 . . . 51.744(7) ?
Ca Al4 Al1 . . 2_555 108.034(8) ?
Ca Al4 Al1 . . 3_555 108.034(5) ?
Ca Al4 Al1 . . 4_554 146.620(9) ?
Ca Al4 Al1 . . 5_554 65.322(11) ?
Ca Al4 Al1 . . 6_554 65.322(8) ?
Ca Al4 Al1 . . 7_556 65.322(8) ?
Ca Al4 Al1 . . 8_556 146.620(9) ?
Ca Al4 Al1 . . 9_556 65.322(9) ?
Ca Al4 Al1 . . 10_555 108.034(6) ?
Ca Al4 Al1 . . 11_555 51.744(7) ?
Ca Al4 Al1 . . 12_555 108.034(7) ?
Ca Al4 Ca 2_555 . 3_555 120.000(13) ?
Ca Al4 Rh2 2_555 . . 90 ?
Ca Al4 Rh2 2_555 . 4_555 90 ?
Ca Al4 Al1 2_555 . . 108.034(7) ?
Ca Al4 Al1 2_555 . 2_555 51.744(7) ?
Ca Al4 Al1 2_555 . 3_555 108.034(8) ?
Ca Al4 Al1 2_555 . 4_554 65.322(11) ?
Ca Al4 Al1 2_555 . 5_554 146.620(9) ?
Ca Al4 Al1 2_555 . 6_554 65.322(11) ?
Ca Al4 Al1 2_555 . 7_556 146.620(9) ?
Ca Al4 Al1 2_555 . 8_556 65.322(13) ?
Ca Al4 Al1 2_555 . 9_556 65.322(10) ?
Ca Al4 Al1 2_555 . 10_555 51.744(7) ?
Ca Al4 Al1 2_555 . 11_555 108.034(9) ?
Ca Al4 Al1 2_555 . 12_555 108.034(7) ?
Ca Al4 Rh2 3_555 . . 90 ?
Ca Al4 Rh2 3_555 . 4_555 90 ?
Ca Al4 Al1 3_555 . . 108.034(7) ?
Ca Al4 Al1 3_555 . 2_555 108.034(9) ?
Ca Al4 Al1 3_555 . 3_555 51.744(7) ?
Ca Al4 Al1 3_555 . 4_554 65.322(9) ?
Ca Al4 Al1 3_555 . 5_554 65.322(12) ?
Ca Al4 Al1 3_555 . 6_554 146.620(10) ?
Ca Al4 Al1 3_555 . 7_556 65.322(9) ?
Ca Al4 Al1 3_555 . 8_556 65.322(12) ?
Ca Al4 Al1 3_555 . 9_556 146.620(10) ?
Ca Al4 Al1 3_555 . 10_555 108.034(7) ?
Ca Al4 Al1 3_555 . 11_555 108.034(9) ?
Ca Al4 Al1 3_555 . 12_555 51.744(7) ?
Rh2 Al4 Rh2 . . 4_555 180 ?
Rh2 Al4 Al1 . . . 141.744(7) ?
Rh2 Al4 Al1 . . 2_555 141.744(7) ?
Rh2 Al4 Al1 . . 3_555 141.744(7) ?
Rh2 Al4 Al1 . . 4_554 56.620(9) ?
Rh2 Al4 Al1 . . 5_554 56.620(9) ?
Rh2 Al4 Al1 . . 6_554 56.620(10) ?
Rh2 Al4 Al1 . . 7_556 123.380(9) ?
Rh2 Al4 Al1 . . 8_556 123.380(9) ?
Rh2 Al4 Al1 . . 9_556 123.380(10) ?
Rh2 Al4 Al1 . . 10_555 38.256(7) ?
Rh2 Al4 Al1 . . 11_555 38.256(7) ?
Rh2 Al4 Al1 . . 12_555 38.256(7) ?
Rh2 Al4 Al1 4_555 . . 38.256(7) ?
Rh2 Al4 Al1 4_555 . 2_555 38.256(7) ?
Rh2 Al4 Al1 4_555 . 3_555 38.256(7) ?
Rh2 Al4 Al1 4_555 . 4_554 123.380(9) ?
Rh2 Al4 Al1 4_555 . 5_554 123.380(9) ?
Rh2 Al4 Al1 4_555 . 6_554 123.380(10) ?
Rh2 Al4 Al1 4_555 . 7_556 56.620(9) ?
Rh2 Al4 Al1 4_555 . 8_556 56.620(9) ?
Rh2 Al4 Al1 4_555 . 9_556 56.620(10) ?
Rh2 Al4 Al1 4_555 . 10_555 141.744(7) ?
Rh2 Al4 Al1 4_555 . 11_555 141.744(7) ?
Rh2 Al4 Al1 4_555 . 12_555 141.744(7) ?
Al1 Al4 Al1 . . 2_555 64.853(8) ?
Al1 Al4 Al1 . . 3_555 64.853(9) ?
Al1 Al4 Al1 . . 4_554 161.636(11) ?
Al1 Al4 Al1 . . 5_554 99.993(10) ?
Al1 Al4 Al1 . . 6_554 99.993(10) ?
Al1 Al4 Al1 . . 7_556 46.326(10) ?
Al1 Al4 Al1 . . 8_556 94.876(12) ?
Al1 Al4 Al1 . . 9_556 46.326(8) ?
Al1 Al4 Al1 . . 10_555 143.932(8) ?
Al1 Al4 Al1 . . 11_555 103.489(10) ?
Al1 Al4 Al1 . . 12_555 143.931(5) ?
Al1 Al4 Al1 2_555 . 3_555 64.853(11) ?
Al1 Al4 Al1 2_555 . 4_554 99.993(10) ?
Al1 Al4 Al1 2_555 . 5_554 161.636(11) ?
Al1 Al4 Al1 2_555 . 6_554 99.993(13) ?
Al1 Al4 Al1 2_555 . 7_556 94.876(12) ?
Al1 Al4 Al1 2_555 . 8_556 46.326(13) ?
Al1 Al4 Al1 2_555 . 9_556 46.326(12) ?
Al1 Al4 Al1 2_555 . 10_555 103.489(10) ?
Al1 Al4 Al1 2_555 . 11_555 143.931(11) ?
Al1 Al4 Al1 2_555 . 12_555 143.932(9) ?
Al1 Al4 Al1 3_555 . 4_554 99.993(11) ?
Al1 Al4 Al1 3_555 . 5_554 99.993(13) ?
Al1 Al4 Al1 3_555 . 6_554 161.636(12) ?
Al1 Al4 Al1 3_555 . 7_556 46.326(8) ?
Al1 Al4 Al1 3_555 . 8_556 46.326(10) ?
Al1 Al4 Al1 3_555 . 9_556 94.876(12) ?
Al1 Al4 Al1 3_555 . 10_555 143.931(5) ?
Al1 Al4 Al1 3_555 . 11_555 143.932(9) ?
Al1 Al4 Al1 3_555 . 12_555 103.489(10) ?
Al1 Al4 Al1 4_554 . 5_554 92.633(12) ?
Al1 Al4 Al1 4_554 . 6_554 92.633(11) ?
Al1 Al4 Al1 4_554 . 7_556 130.644(10) ?
Al1 Al4 Al1 4_554 . 8_556 66.760(14) ?
Al1 Al4 Al1 4_554 . 9_556 130.644(8) ?
Al1 Al4 Al1 4_554 . 10_555 46.326(10) ?
Al1 Al4 Al1 4_554 . 11_555 94.876(12) ?
Al1 Al4 Al1 4_554 . 12_555 46.326(8) ?
Al1 Al4 Al1 5_554 . 6_554 92.633(14) ?
Al1 Al4 Al1 5_554 . 7_556 66.760(14) ?
Al1 Al4 Al1 5_554 . 8_556 130.644(15) ?
Al1 Al4 Al1 5_554 . 9_556 130.644(12) ?
Al1 Al4 Al1 5_554 . 10_555 94.876(12) ?
Al1 Al4 Al1 5_554 . 11_555 46.326(13) ?
Al1 Al4 Al1 5_554 . 12_555 46.326(10) ?
Al1 Al4 Al1 6_554 . 7_556 130.644(8) ?
Al1 Al4 Al1 6_554 . 8_556 130.644(12) ?
Al1 Al4 Al1 6_554 . 9_556 66.760(14) ?
Al1 Al4 Al1 6_554 . 10_555 46.326(8) ?
Al1 Al4 Al1 6_554 . 11_555 46.326(12) ?
Al1 Al4 Al1 6_554 . 12_555 94.876(12) ?
Al1 Al4 Al1 7_556 . 8_556 92.633(12) ?
Al1 Al4 Al1 7_556 . 9_556 92.633(11) ?
Al1 Al4 Al1 7_556 . 10_555 161.636(11) ?
Al1 Al4 Al1 7_556 . 11_555 99.993(10) ?
Al1 Al4 Al1 7_556 . 12_555 99.993(11) ?
Al1 Al4 Al1 8_556 . 9_556 92.633(14) ?
Al1 Al4 Al1 8_556 . 10_555 99.993(10) ?
Al1 Al4 Al1 8_556 . 11_555 161.636(11) ?
Al1 Al4 Al1 8_556 . 12_555 99.993(13) ?
Al1 Al4 Al1 9_556 . 10_555 99.993(10) ?
Al1 Al4 Al1 9_556 . 11_555 99.993(13) ?
Al1 Al4 Al1 9_556 . 12_555 161.636(12) ?
Al1 Al4 Al1 10_555 . 11_555 64.853(8) ?
Al1 Al4 Al1 10_555 . 12_555 64.853(9) ?
Al1 Al4 Al1 11_555 . 12_555 64.853(11) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1958807'
loop_
_audit_author_name
_audit_author_address
'Oliver Janka'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-10-11 deposited with the CCDC.	2020-04-22 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Al12 Eu3 Rh4'
_chemical_formula_weight         1191.3
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m m c'
_symmetry_space_group_name_Hall  '-P 6c;-2c'
_symmetry_Int_Tables_number      194

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x,-y,z+1/2
5 y,-x+y,z+1/2
6 x-y,x,z+1/2
7 y,x,-z
8 x-y,-y,-z
9 -x,-x+y,-z
10 -y,-x,-z+1/2
11 -x+y,y,-z+1/2
12 x,x-y,-z+1/2
13 -x,-y,-z
14 y,-x+y,-z
15 x-y,x,-z
16 x,y,-z+1/2
17 -y,x-y,-z+1/2
18 -x+y,-x,-z+1/2
19 -y,-x,z
20 -x+y,y,z
21 x,x-y,z
22 y,x,z+1/2
23 x-y,-y,z+1/2
24 -x,-x+y,z+1/2

_cell_length_a                   8.8760(4)
_cell_length_b                   8.8760(4)
_cell_length_c                   9.6122(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     655.83

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            2

_cell_measurement_reflns_used    10038
_cell_measurement_theta_min      3.35
_cell_measurement_theta_max      33.58
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    6.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1050

_exptl_absorpt_coefficient_mu    19.8
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.010
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            silver
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.4416
_exptl_absorpt_correction_T_max  0.6718
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'IPDS-II Stoe'
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       '??integration method??'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            7863
_diffrn_reflns_theta_min         2.65
_diffrn_reflns_theta_max         33.47
_diffrn_reflns_theta_full        33.35
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measured_fraction_theta_full 0.98
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_unetI/netI     0.0085
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             513
_reflns_number_gt                459
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0202
_refine_ls_wR_factor_gt          0.0502
_refine_ls_R_factor_all          0.0247
_refine_ls_wR_factor_ref         0.0509
_refine_ls_goodness_of_fit_ref   1.83
_refine_ls_goodness_of_fit_gt    1.92
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         513
_refine_ls_number_parameters     27
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(I)+0.0004I²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0001
_refine_diff_density_max         2.09
_refine_diff_density_min         -1.21
_refine_ls_extinction_method     
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       370(60)
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al 0.0645 0.0514 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Eu -0.1578 3.6682 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Rh -1.1178 0.9187 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu Eu 0.19113(2) 0.38225(4) 0.25 Uani 0.00989(12) 6 1 d . . .
Rh1 Rh 0.5 0 0 Uani 0.00731(14) 6 1 d . . .
Rh2 Rh 0 0 0 Uani 0.00633(18) 2 1 d . . .
Al1 Al 0.16210(9) 0.32420(18) 0.57779(18) Uani 0.0089(4) 12 1 d . . .
Al2 Al 0.56212(14) 0.1242(3) 0.25 Uani 0.0080(6) 6 1 d . . .
Al3 Al 0.333333 0.666667 0.0054(3) Uani 0.0092(6) 4 1 d . . .
Al4 Al 0 0 0.25 Uani 0.0127(9) 2 1 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Eu Eu . 2_665 3.7867(6) ?
Eu Eu . 3_565 3.7867(6) ?
Eu Rh1 . 2_555 3.3938(3) ?
Eu Rh1 . 3_665 3.3938(3) ?
Eu Rh1 . 5_565 3.3938(3) ?
Eu Rh1 . 6_555 3.3938(3) ?
Eu Rh2 . . 3.7958(4) ?
Eu Rh2 . 4_555 3.7958(4) ?
Eu Al1 . . 3.1822(17) ?
Eu Al1 . 5_554 3.203(2) ?
Eu Al1 . 6_554 3.2034(15) ?
Eu Al1 . 7_556 3.2034(16) ?
Eu Al1 . 9_556 3.2034(11) ?
Eu Al1 . 11_555 3.1822(17) ?
Eu Al2 . 2_555 3.076(3) ?
Eu Al2 . 3_665 3.076(3) ?
Eu Al3 . . 3.211(2) ?
Eu Al3 . 10_665 3.211(2) ?
Eu Al4 . . 2.9383(5) ?
Rh1 Al1 . 5_554 2.704(2) ?
Rh1 Al1 . 6_654 2.7035(16) ?
Rh1 Al1 . 10_655 2.7035(16) ?
Rh1 Al1 . 12_555 2.7035(9) ?
Rh1 Al2 . . 2.5859(8) ?
Rh1 Al2 . 4_654 2.5859(8) ?
Rh1 Al3 . 1_545 2.5628(3) ?
Rh1 Al3 . 7_555 2.5628(3) ?
Rh2 Al1 . 4_554 2.6018(15) ?
Rh2 Al1 . 5_554 2.6018(15) ?
Rh2 Al1 . 6_554 2.6018(17) ?
Rh2 Al1 . 10_555 2.6018(15) ?
Rh2 Al1 . 11_555 2.6018(15) ?
Rh2 Al1 . 12_555 2.6018(17) ?
Rh2 Al4 . . 2.4030(2) ?
Rh2 Al4 . 4_554 2.4030(2) ?
Al1 Al1 . 7_556 2.906(2) ?
Al1 Al1 . 9_556 2.9063(15) ?
Al1 Al1 . 11_556 3.311(2) ?
Al1 Al2 . 5_565 2.832(3) ?
Al1 Al2 . 6_555 2.8324(18) ?
Al1 Al3 . 10_665 2.7511(17) ?
Al1 Al4 . 4_555 2.9918(15) ?
Al2 Al2 . 2_655 2.784(2) ?
Al2 Al2 . 3_665 2.784(3) ?
Al2 Al3 . 4_665 2.934(3) ?
Al2 Al3 . 7_555 2.934(3) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Eu Eu Eu 2_665 . 3_565 60.000(11) ?
Eu Eu Rh1 2_665 . 2_555 95.506(10) ?
Eu Eu Rh1 2_665 . 3_665 56.090(5) ?
Eu Eu Rh1 2_665 . 5_565 95.506(10) ?
Eu Eu Rh1 2_665 . 6_555 56.090(5) ?
Eu Eu Rh2 2_665 . . 132.096(6) ?
Eu Eu Rh2 2_665 . 4_555 132.096(6) ?
Eu Eu Al1 2_665 . . 96.975(17) ?
Eu Eu Al1 2_665 . 5_554 96.93(2) ?
Eu Eu Al1 2_665 . 6_554 142.59(2) ?
Eu Eu Al1 2_665 . 7_556 96.93(2) ?
Eu Eu Al1 2_665 . 9_556 142.59(3) ?
Eu Eu Al1 2_665 . 11_555 96.97(2) ?
Eu Eu Al2 2_665 . 2_555 112.01(4) ?
Eu Eu Al2 2_665 . 3_665 52.01(2) ?
Eu Eu Al3 2_665 . . 53.87(3) ?
Eu Eu Al3 2_665 . 10_665 53.87(3) ?
Eu Eu Al4 2_665 . . 150.000(14) ?
Eu Eu Rh1 3_565 . 2_555 56.090(7) ?
Eu Eu Rh1 3_565 . 3_665 95.506(8) ?
Eu Eu Rh1 3_565 . 5_565 56.090(7) ?
Eu Eu Rh1 3_565 . 6_555 95.506(8) ?
Eu Eu Rh2 3_565 . . 132.097(7) ?
Eu Eu Rh2 3_565 . 4_555 132.097(7) ?
Eu Eu Al1 3_565 . . 96.97(3) ?
Eu Eu Al1 3_565 . 5_554 142.59(3) ?
Eu Eu Al1 3_565 . 6_554 96.93(3) ?
Eu Eu Al1 3_565 . 7_556 142.59(2) ?
Eu Eu Al1 3_565 . 9_556 96.93(4) ?
Eu Eu Al1 3_565 . 11_555 96.97(3) ?
Eu Eu Al2 3_565 . 2_555 52.01(4) ?
Eu Eu Al2 3_565 . 3_665 112.01(2) ?
Eu Eu Al3 3_565 . . 53.87(3) ?
Eu Eu Al3 3_565 . 10_665 53.87(3) ?
Eu Eu Al4 3_565 . . 150.000(10) ?
Rh1 Eu Rh1 2_555 . 3_665 81.664(4) ?
Rh1 Eu Rh1 2_555 . 5_565 90.157(9) ?
Rh1 Eu Rh1 2_555 . 6_555 149.064(11) ?
Rh1 Eu Rh2 2_555 . . 76.006(3) ?
Rh1 Eu Rh2 2_555 . 4_555 130.898(6) ?
Rh1 Eu Al1 2_555 . . 137.60(3) ?
Rh1 Eu Al1 2_555 . 5_554 102.44(3) ?
Rh1 Eu Al1 2_555 . 6_554 48.28(2) ?
Rh1 Eu Al1 2_555 . 7_556 161.31(2) ?
Rh1 Eu Al1 2_555 . 9_556 93.80(3) ?
Rh1 Eu Al1 2_555 . 11_555 48.42(4) ?
Rh1 Eu Al2 2_555 . 2_555 46.799(10) ?
Rh1 Eu Al2 2_555 . 3_665 127.620(11) ?
Rh1 Eu Al3 2_555 . . 45.559(16) ?
Rh1 Eu Al3 2_555 . 10_665 109.69(3) ?
Rh1 Eu Al4 2_555 . . 105.468(5) ?
Rh1 Eu Rh1 3_665 . 5_565 149.064(11) ?
Rh1 Eu Rh1 3_665 . 6_555 90.156(6) ?
Rh1 Eu Rh2 3_665 . . 76.006(6) ?
Rh1 Eu Rh2 3_665 . 4_555 130.898(12) ?
Rh1 Eu Al1 3_665 . . 137.601(18) ?
Rh1 Eu Al1 3_665 . 5_554 48.28(3) ?
Rh1 Eu Al1 3_665 . 6_554 102.44(3) ?
Rh1 Eu Al1 3_665 . 7_556 93.80(3) ?
Rh1 Eu Al1 3_665 . 9_556 161.31(3) ?
Rh1 Eu Al1 3_665 . 11_555 48.42(3) ?
Rh1 Eu Al2 3_665 . 2_555 127.62(2) ?
Rh1 Eu Al2 3_665 . 3_665 46.798(6) ?
Rh1 Eu Al3 3_665 . . 45.559(15) ?
Rh1 Eu Al3 3_665 . 10_665 109.69(3) ?
Rh1 Eu Al4 3_665 . . 105.468(10) ?
Rh1 Eu Rh1 5_565 . 6_555 81.664(4) ?
Rh1 Eu Rh2 5_565 . . 130.898(6) ?
Rh1 Eu Rh2 5_565 . 4_555 76.006(3) ?
Rh1 Eu Al1 5_565 . . 48.42(3) ?
Rh1 Eu Al1 5_565 . 5_554 161.31(3) ?
Rh1 Eu Al1 5_565 . 6_554 93.80(3) ?
Rh1 Eu Al1 5_565 . 7_556 102.44(3) ?
Rh1 Eu Al1 5_565 . 9_556 48.28(3) ?
Rh1 Eu Al1 5_565 . 11_555 137.60(4) ?
Rh1 Eu Al2 5_565 . 2_555 46.799(10) ?
Rh1 Eu Al2 5_565 . 3_665 127.620(11) ?
Rh1 Eu Al3 5_565 . . 109.69(3) ?
Rh1 Eu Al3 5_565 . 10_665 45.559(16) ?
Rh1 Eu Al4 5_565 . . 105.468(5) ?
Rh1 Eu Rh2 6_555 . . 130.898(12) ?
Rh1 Eu Rh2 6_555 . 4_555 76.006(6) ?
Rh1 Eu Al1 6_555 . . 48.419(13) ?
Rh1 Eu Al1 6_555 . 5_554 93.80(3) ?
Rh1 Eu Al1 6_555 . 6_554 161.31(2) ?
Rh1 Eu Al1 6_555 . 7_556 48.278(19) ?
Rh1 Eu Al1 6_555 . 9_556 102.44(3) ?
Rh1 Eu Al1 6_555 . 11_555 137.60(3) ?
Rh1 Eu Al2 6_555 . 2_555 127.62(2) ?
Rh1 Eu Al2 6_555 . 3_665 46.798(6) ?
Rh1 Eu Al3 6_555 . . 109.69(3) ?
Rh1 Eu Al3 6_555 . 10_665 45.559(15) ?
Rh1 Eu Al4 6_555 . . 105.468(10) ?
Rh2 Eu Rh2 . . 4_555 78.555(8) ?
Rh2 Eu Al1 . . . 121.22(3) ?
Rh2 Eu Al1 . . 5_554 42.60(2) ?
Rh2 Eu Al1 . . 6_554 42.60(3) ?
Rh2 Eu Al1 . . 7_556 85.31(2) ?
Rh2 Eu Al1 . . 9_556 85.31(3) ?
Rh2 Eu Al1 . . 11_555 42.66(3) ?
Rh2 Eu Al2 . . 2_555 96.18(3) ?
Rh2 Eu Al2 . . 3_665 96.177(19) ?
Rh2 Eu Al3 . . . 93.64(4) ?
Rh2 Eu Al3 . . 10_665 172.19(4) ?
Rh2 Eu Al4 . . . 39.278(4) ?
Rh2 Eu Al1 4_555 . . 42.66(3) ?
Rh2 Eu Al1 4_555 . 5_554 85.31(3) ?
Rh2 Eu Al1 4_555 . 6_554 85.31(2) ?
Rh2 Eu Al1 4_555 . 7_556 42.60(2) ?
Rh2 Eu Al1 4_555 . 9_556 42.60(3) ?
Rh2 Eu Al1 4_555 . 11_555 121.22(3) ?
Rh2 Eu Al2 4_555 . 2_555 96.18(3) ?
Rh2 Eu Al2 4_555 . 3_665 96.177(19) ?
Rh2 Eu Al3 4_555 . . 172.19(4) ?
Rh2 Eu Al3 4_555 . 10_665 93.64(4) ?
Rh2 Eu Al4 4_555 . . 39.278(4) ?
Al1 Eu Al1 . . 5_554 115.95(5) ?
Al1 Eu Al1 . . 6_554 115.95(3) ?
Al1 Eu Al1 . . 7_556 54.15(4) ?
Al1 Eu Al1 . . 9_556 54.15(3) ?
Al1 Eu Al1 . . 11_555 163.88(4) ?
Al1 Eu Al2 . . 2_555 91.12(2) ?
Al1 Eu Al2 . . 3_665 91.117(19) ?
Al1 Eu Al3 . . . 145.15(5) ?
Al1 Eu Al3 . . 10_665 50.97(5) ?
Al1 Eu Al4 . . . 81.94(3) ?
Al1 Eu Al1 5_554 . 6_554 84.71(4) ?
Al1 Eu Al1 5_554 . 7_556 62.23(4) ?
Al1 Eu Al1 5_554 . 9_556 116.22(4) ?
Al1 Eu Al1 5_554 . 11_555 54.15(5) ?
Al1 Eu Al2 5_554 . 2_555 137.78(4) ?
Al1 Eu Al2 5_554 . 3_665 53.58(3) ?
Al1 Eu Al3 5_554 . . 88.92(4) ?
Al1 Eu Al3 5_554 . 10_665 137.57(3) ?
Al1 Eu Al4 5_554 . . 58.11(2) ?
Al1 Eu Al1 6_554 . 7_556 116.22(3) ?
Al1 Eu Al1 6_554 . 9_556 62.23(4) ?
Al1 Eu Al1 6_554 . 11_555 54.15(4) ?
Al1 Eu Al2 6_554 . 2_555 53.58(4) ?
Al1 Eu Al2 6_554 . 3_665 137.78(4) ?
Al1 Eu Al3 6_554 . . 88.92(4) ?
Al1 Eu Al3 6_554 . 10_665 137.57(3) ?
Al1 Eu Al4 6_554 . . 58.11(2) ?
Al1 Eu Al1 7_556 . 9_556 84.71(4) ?
Al1 Eu Al1 7_556 . 11_555 115.95(5) ?
Al1 Eu Al2 7_556 . 2_555 137.78(4) ?
Al1 Eu Al2 7_556 . 3_665 53.58(3) ?
Al1 Eu Al3 7_556 . . 137.57(3) ?
Al1 Eu Al3 7_556 . 10_665 88.92(4) ?
Al1 Eu Al4 7_556 . . 58.112(19) ?
Al1 Eu Al1 9_556 . 11_555 115.95(4) ?
Al1 Eu Al2 9_556 . 2_555 53.58(4) ?
Al1 Eu Al2 9_556 . 3_665 137.78(3) ?
Al1 Eu Al3 9_556 . . 137.57(3) ?
Al1 Eu Al3 9_556 . 10_665 88.92(4) ?
Al1 Eu Al4 9_556 . . 58.11(3) ?
Al1 Eu Al2 11_555 . 2_555 91.12(4) ?
Al1 Eu Al2 11_555 . 3_665 91.12(3) ?
Al1 Eu Al3 11_555 . . 50.97(5) ?
Al1 Eu Al3 11_555 . 10_665 145.15(5) ?
Al1 Eu Al4 11_555 . . 81.94(3) ?
Al2 Eu Al2 2_555 . 3_665 164.02(5) ?
Al2 Eu Al3 2_555 . . 84.57(3) ?
Al2 Eu Al3 2_555 . 10_665 84.57(3) ?
Al2 Eu Al4 2_555 . . 97.99(4) ?
Al2 Eu Al3 3_665 . . 84.569(16) ?
Al2 Eu Al3 3_665 . 10_665 84.569(16) ?
Al2 Eu Al4 3_665 . . 97.99(3) ?
Al3 Eu Al3 . . 10_665 94.17(5) ?
Al3 Eu Al4 . . . 132.91(4) ?
Al3 Eu Al4 10_665 . . 132.91(4) ?
Eu Rh1 Eu 2_655 . 3_555 67.820(9) ?
Eu Rh1 Eu 2_655 . 5_554 180.0(5) ?
Eu Rh1 Eu 2_655 . 6_654 112.180(9) ?
Eu Rh1 Al1 2_655 . 5_554 118.30(4) ?
Eu Rh1 Al1 2_655 . 6_654 62.18(3) ?
Eu Rh1 Al1 2_655 . 10_655 61.70(4) ?
Eu Rh1 Al1 2_655 . 12_555 117.82(4) ?
Eu Rh1 Al2 2_655 . . 60.12(5) ?
Eu Rh1 Al2 2_655 . 4_654 119.88(5) ?
Eu Rh1 Al3 2_655 . 1_545 63.45(5) ?
Eu Rh1 Al3 2_655 . 7_555 116.55(5) ?
Eu Rh1 Eu 3_555 . 5_554 112.180(9) ?
Eu Rh1 Eu 3_555 . 6_654 180.0(5) ?
Eu Rh1 Al1 3_555 . 5_554 62.18(3) ?
Eu Rh1 Al1 3_555 . 6_654 118.30(4) ?
Eu Rh1 Al1 3_555 . 10_655 117.82(3) ?
Eu Rh1 Al1 3_555 . 12_555 61.70(3) ?
Eu Rh1 Al2 3_555 . . 60.12(2) ?
Eu Rh1 Al2 3_555 . 4_654 119.88(2) ?
Eu Rh1 Al3 3_555 . 1_545 63.45(5) ?
Eu Rh1 Al3 3_555 . 7_555 116.55(5) ?
Eu Rh1 Eu 5_554 . 6_654 67.820(9) ?
Eu Rh1 Al1 5_554 . 5_554 61.70(4) ?
Eu Rh1 Al1 5_554 . 6_654 117.82(3) ?
Eu Rh1 Al1 5_554 . 10_655 118.30(4) ?
Eu Rh1 Al1 5_554 . 12_555 62.18(4) ?
Eu Rh1 Al2 5_554 . . 119.88(5) ?
Eu Rh1 Al2 5_554 . 4_654 60.12(5) ?
Eu Rh1 Al3 5_554 . 1_545 116.55(5) ?
Eu Rh1 Al3 5_554 . 7_555 63.45(5) ?
Eu Rh1 Al1 6_654 . 5_554 117.82(3) ?
Eu Rh1 Al1 6_654 . 6_654 61.70(4) ?
Eu Rh1 Al1 6_654 . 10_655 62.18(3) ?
Eu Rh1 Al1 6_654 . 12_555 118.30(3) ?
Eu Rh1 Al2 6_654 . . 119.88(2) ?
Eu Rh1 Al2 6_654 . 4_654 60.12(2) ?
Eu Rh1 Al3 6_654 . 1_545 116.55(5) ?
Eu Rh1 Al3 6_654 . 7_555 63.45(5) ?
Al1 Rh1 Al1 5_554 . 6_654 114.97(4) ?
Al1 Rh1 Al1 5_554 . 10_655 180.0(5) ?
Al1 Rh1 Al1 5_554 . 12_555 65.03(5) ?
Al1 Rh1 Al2 5_554 . . 64.71(6) ?
Al1 Rh1 Al2 5_554 . 4_654 115.29(6) ?
Al1 Rh1 Al3 5_554 . 1_545 117.08(3) ?
Al1 Rh1 Al3 5_554 . 7_555 62.92(3) ?
Al1 Rh1 Al1 6_654 . 10_655 65.03(4) ?
Al1 Rh1 Al1 6_654 . 12_555 180.0(5) ?
Al1 Rh1 Al2 6_654 . . 64.71(4) ?
Al1 Rh1 Al2 6_654 . 4_654 115.29(4) ?
Al1 Rh1 Al3 6_654 . 1_545 117.08(3) ?
Al1 Rh1 Al3 6_654 . 7_555 62.92(3) ?
Al1 Rh1 Al1 10_655 . 12_555 114.97(5) ?
Al1 Rh1 Al2 10_655 . . 115.29(6) ?
Al1 Rh1 Al2 10_655 . 4_654 64.71(6) ?
Al1 Rh1 Al3 10_655 . 1_545 62.92(3) ?
Al1 Rh1 Al3 10_655 . 7_555 117.08(3) ?
Al1 Rh1 Al2 12_555 . . 115.29(4) ?
Al1 Rh1 Al2 12_555 . 4_654 64.71(4) ?
Al1 Rh1 Al3 12_555 . 1_545 62.92(5) ?
Al1 Rh1 Al3 12_555 . 7_555 117.08(5) ?
Al2 Rh1 Al2 . . 4_654 180.0(5) ?
Al2 Rh1 Al3 . . 1_545 110.52(8) ?
Al2 Rh1 Al3 . . 7_555 69.48(8) ?
Al2 Rh1 Al3 4_654 . 1_545 69.48(8) ?
Al2 Rh1 Al3 4_654 . 7_555 110.52(8) ?
Al3 Rh1 Al3 1_545 . 7_555 180.0(5) ?
Eu Rh2 Eu . . 2_555 84.193(6) ?
Eu Rh2 Eu . . 3_555 84.193(6) ?
Eu Rh2 Eu . . 4_554 180.0(5) ?
Eu Rh2 Eu . . 5_554 95.807(6) ?
Eu Rh2 Eu . . 6_554 95.807(6) ?
Eu Rh2 Al1 . . 4_554 124.02(4) ?
Eu Rh2 Al1 . . 5_554 56.45(4) ?
Eu Rh2 Al1 . . 6_554 56.45(3) ?
Eu Rh2 Al1 . . 10_555 123.55(3) ?
Eu Rh2 Al1 . . 11_555 55.98(4) ?
Eu Rh2 Al1 . . 12_555 123.55(3) ?
Eu Rh2 Al4 . . . 50.722(4) ?
Eu Rh2 Al4 . . 4_554 129.278(4) ?
Eu Rh2 Eu 2_555 . 3_555 84.193(9) ?
Eu Rh2 Eu 2_555 . 4_554 95.807(6) ?
Eu Rh2 Eu 2_555 . 5_554 180.0(5) ?
Eu Rh2 Eu 2_555 . 6_554 95.807(9) ?
Eu Rh2 Al1 2_555 . 4_554 56.45(3) ?
Eu Rh2 Al1 2_555 . 5_554 124.02(4) ?
Eu Rh2 Al1 2_555 . 6_554 56.45(3) ?
Eu Rh2 Al1 2_555 . 10_555 55.98(4) ?
Eu Rh2 Al1 2_555 . 11_555 123.55(4) ?
Eu Rh2 Al1 2_555 . 12_555 123.55(3) ?
Eu Rh2 Al4 2_555 . . 50.722(4) ?
Eu Rh2 Al4 2_555 . 4_554 129.278(4) ?
Eu Rh2 Eu 3_555 . 4_554 95.807(6) ?
Eu Rh2 Eu 3_555 . 5_554 95.807(9) ?
Eu Rh2 Eu 3_555 . 6_554 180.0(5) ?
Eu Rh2 Al1 3_555 . 4_554 56.45(3) ?
Eu Rh2 Al1 3_555 . 5_554 56.45(4) ?
Eu Rh2 Al1 3_555 . 6_554 124.02(4) ?
Eu Rh2 Al1 3_555 . 10_555 123.55(3) ?
Eu Rh2 Al1 3_555 . 11_555 123.55(4) ?
Eu Rh2 Al1 3_555 . 12_555 55.98(4) ?
Eu Rh2 Al4 3_555 . . 50.722(4) ?
Eu Rh2 Al4 3_555 . 4_554 129.278(4) ?
Eu Rh2 Eu 4_554 . 5_554 84.193(6) ?
Eu Rh2 Eu 4_554 . 6_554 84.193(6) ?
Eu Rh2 Al1 4_554 . 4_554 55.98(4) ?
Eu Rh2 Al1 4_554 . 5_554 123.55(4) ?
Eu Rh2 Al1 4_554 . 6_554 123.55(3) ?
Eu Rh2 Al1 4_554 . 10_555 56.45(3) ?
Eu Rh2 Al1 4_554 . 11_555 124.02(4) ?
Eu Rh2 Al1 4_554 . 12_555 56.45(3) ?
Eu Rh2 Al4 4_554 . . 129.278(4) ?
Eu Rh2 Al4 4_554 . 4_554 50.722(4) ?
Eu Rh2 Eu 5_554 . 6_554 84.193(9) ?
Eu Rh2 Al1 5_554 . 4_554 123.55(3) ?
Eu Rh2 Al1 5_554 . 5_554 55.98(4) ?
Eu Rh2 Al1 5_554 . 6_554 123.55(3) ?
Eu Rh2 Al1 5_554 . 10_555 124.02(4) ?
Eu Rh2 Al1 5_554 . 11_555 56.45(4) ?
Eu Rh2 Al1 5_554 . 12_555 56.45(3) ?
Eu Rh2 Al4 5_554 . . 129.278(4) ?
Eu Rh2 Al4 5_554 . 4_554 50.722(4) ?
Eu Rh2 Al1 6_554 . 4_554 123.55(3) ?
Eu Rh2 Al1 6_554 . 5_554 123.55(4) ?
Eu Rh2 Al1 6_554 . 6_554 55.98(4) ?
Eu Rh2 Al1 6_554 . 10_555 56.45(3) ?
Eu Rh2 Al1 6_554 . 11_555 56.45(4) ?
Eu Rh2 Al1 6_554 . 12_555 124.02(4) ?
Eu Rh2 Al4 6_554 . . 129.278(4) ?
Eu Rh2 Al4 6_554 . 4_554 50.722(4) ?
Al1 Rh2 Al1 4_554 . 5_554 112.09(5) ?
Al1 Rh2 Al1 4_554 . 6_554 112.09(4) ?
Al1 Rh2 Al1 4_554 . 10_555 67.91(4) ?
Al1 Rh2 Al1 4_554 . 11_555 180.0(5) ?
Al1 Rh2 Al1 4_554 . 12_555 67.91(4) ?
Al1 Rh2 Al4 4_554 . . 73.30(4) ?
Al1 Rh2 Al4 4_554 . 4_554 106.70(4) ?
Al1 Rh2 Al1 5_554 . 6_554 112.09(5) ?
Al1 Rh2 Al1 5_554 . 10_555 180.0(5) ?
Al1 Rh2 Al1 5_554 . 11_555 67.91(6) ?
Al1 Rh2 Al1 5_554 . 12_555 67.91(5) ?
Al1 Rh2 Al4 5_554 . . 73.30(4) ?
Al1 Rh2 Al4 5_554 . 4_554 106.70(4) ?
Al1 Rh2 Al1 6_554 . 10_555 67.91(4) ?
Al1 Rh2 Al1 6_554 . 11_555 67.91(5) ?
Al1 Rh2 Al1 6_554 . 12_555 180.0(5) ?
Al1 Rh2 Al4 6_554 . . 73.30(4) ?
Al1 Rh2 Al4 6_554 . 4_554 106.70(4) ?
Al1 Rh2 Al1 10_555 . 11_555 112.09(5) ?
Al1 Rh2 Al1 10_555 . 12_555 112.09(4) ?
Al1 Rh2 Al4 10_555 . . 106.70(4) ?
Al1 Rh2 Al4 10_555 . 4_554 73.30(4) ?
Al1 Rh2 Al1 11_555 . 12_555 112.09(5) ?
Al1 Rh2 Al4 11_555 . . 106.70(4) ?
Al1 Rh2 Al4 11_555 . 4_554 73.30(4) ?
Al1 Rh2 Al4 12_555 . . 106.70(4) ?
Al1 Rh2 Al4 12_555 . 4_554 73.30(4) ?
Al4 Rh2 Al4 . . 4_554 180.0(5) ?
Eu Al1 Eu . . 5_555 123.81(5) ?
Eu Al1 Eu . . 6_555 123.81(4) ?
Eu Al1 Rh1 . . 5_565 69.88(4) ?
Eu Al1 Rh1 . . 6_555 69.88(3) ?
Eu Al1 Rh2 . . 4_555 81.36(4) ?
Eu Al1 Al1 . . 7_556 63.30(5) ?
Eu Al1 Al1 . . 9_556 63.30(4) ?
Eu Al1 Al1 . . 11_556 171.94(6) ?
Eu Al1 Al2 . . 5_565 119.22(7) ?
Eu Al1 Al2 . . 6_555 119.22(4) ?
Eu Al1 Al3 . . 10_665 65.05(7) ?
Eu Al1 Al4 . . 4_555 131.65(5) ?
Eu Al1 Eu 5_555 . 6_555 105.19(5) ?
Eu Al1 Rh1 5_555 . 5_565 162.65(6) ?
Eu Al1 Rh1 5_555 . 6_555 69.55(3) ?
Eu Al1 Rh2 5_555 . 4_555 80.95(4) ?
Eu Al1 Al1 5_555 . 7_556 62.55(5) ?
Eu Al1 Al1 5_555 . 9_556 135.96(6) ?
Eu Al1 Al1 5_555 . 11_556 58.89(5) ?
Eu Al1 Al2 5_555 . 5_565 107.13(6) ?
Eu Al1 Al2 5_555 . 6_555 60.91(5) ?
Eu Al1 Al3 5_555 . 10_665 117.11(4) ?
Eu Al1 Al4 5_555 . 4_555 56.50(3) ?
Eu Al1 Rh1 6_555 . 5_565 69.55(3) ?
Eu Al1 Rh1 6_555 . 6_555 162.65(6) ?
Eu Al1 Rh2 6_555 . 4_555 80.95(2) ?
Eu Al1 Al1 6_555 . 7_556 135.96(5) ?
Eu Al1 Al1 6_555 . 9_556 62.55(3) ?
Eu Al1 Al1 6_555 . 11_556 58.89(4) ?
Eu Al1 Al2 6_555 . 5_565 60.91(5) ?
Eu Al1 Al2 6_555 . 6_555 107.13(6) ?
Eu Al1 Al3 6_555 . 10_665 117.11(6) ?
Eu Al1 Al4 6_555 . 4_555 56.50(2) ?
Rh1 Al1 Rh1 5_565 . 6_555 110.33(5) ?
Rh1 Al1 Rh2 5_565 . 4_555 113.53(4) ?
Rh1 Al1 Al1 5_565 . 7_556 132.96(7) ?
Rh1 Al1 Al1 5_565 . 9_556 57.49(4) ?
Rh1 Al1 Al1 5_565 . 11_556 106.05(6) ?
Rh1 Al1 Al2 5_565 . 5_565 55.63(5) ?
Rh1 Al1 Al2 5_565 . 6_555 104.02(7) ?
Rh1 Al1 Al3 5_565 . 10_665 56.04(3) ?
Rh1 Al1 Al4 5_565 . 4_555 124.71(3) ?
Rh1 Al1 Rh2 6_555 . 4_555 113.53(6) ?
Rh1 Al1 Al1 6_555 . 7_556 57.49(3) ?
Rh1 Al1 Al1 6_555 . 9_556 132.96(7) ?
Rh1 Al1 Al1 6_555 . 11_556 106.06(5) ?
Rh1 Al1 Al2 6_555 . 5_565 104.02(5) ?
Rh1 Al1 Al2 6_555 . 6_555 55.64(4) ?
Rh1 Al1 Al3 6_555 . 10_665 56.04(2) ?
Rh1 Al1 Al4 6_555 . 4_555 124.71(5) ?
Rh2 Al1 Al1 4_555 . 7_556 56.05(4) ?
Rh2 Al1 Al1 4_555 . 9_556 56.05(4) ?
Rh2 Al1 Al1 4_555 . 11_556 106.70(5) ?
Rh2 Al1 Al2 4_555 . 5_565 141.85(5) ?
Rh2 Al1 Al2 4_555 . 6_555 141.85(8) ?
Rh2 Al1 Al3 4_555 . 10_665 146.41(9) ?
Rh2 Al1 Al4 4_555 . 4_555 50.29(3) ?
Al1 Al1 Al1 7_556 . 9_556 95.91(6) ?
Al1 Al1 Al1 7_556 . 11_556 120.97(7) ?
Al1 Al1 Al2 7_556 . 5_565 160.47(6) ?
Al1 Al1 Al2 7_556 . 6_555 102.28(6) ?
Al1 Al1 Al3 7_556 . 10_665 105.12(6) ?
Al1 Al1 Al4 7_556 . 4_555 85.85(5) ?
Al1 Al1 Al1 9_556 . 11_556 120.97(5) ?
Al1 Al1 Al2 9_556 . 5_565 102.28(7) ?
Al1 Al1 Al2 9_556 . 6_555 160.47(9) ?
Al1 Al1 Al3 9_556 . 10_665 105.12(7) ?
Al1 Al1 Al4 9_556 . 4_555 85.85(4) ?
Al1 Al1 Al2 11_556 . 5_565 54.24(6) ?
Al1 Al1 Al2 11_556 . 6_555 54.24(4) ?
Al1 Al1 Al3 11_556 . 10_665 106.89(8) ?
Al1 Al1 Al4 11_556 . 4_555 56.41(4) ?
Al2 Al1 Al2 5_565 . 6_555 58.87(7) ?
Al2 Al1 Al3 5_565 . 10_665 63.38(7) ?
Al2 Al1 Al4 5_565 . 4_555 102.38(6) ?
Al2 Al1 Al3 6_555 . 10_665 63.38(6) ?
Al2 Al1 Al4 6_555 . 4_555 102.38(5) ?
Al3 Al1 Al4 10_665 . 4_555 163.29(9) ?
Eu Al2 Eu 2_655 . 3_555 75.98(5) ?
Eu Al2 Rh1 2_655 . . 73.08(5) ?
Eu Al2 Rh1 2_655 . 4_655 73.08(5) ?
Eu Al2 Al1 2_655 . 5_554 125.20(6) ?
Eu Al2 Al1 2_655 . 6_654 65.51(5) ?
Eu Al2 Al1 2_655 . 7_556 125.20(5) ?
Eu Al2 Al1 2_655 . 9_656 65.51(6) ?
Eu Al2 Al2 2_655 . 2_655 112.01(8) ?
Eu Al2 Al2 2_655 . 3_665 172.01(6) ?
Eu Al2 Al3 2_655 . 4_665 115.58(5) ?
Eu Al2 Al3 2_655 . 7_555 115.58(5) ?
Eu Al2 Rh1 3_555 . . 73.08(3) ?
Eu Al2 Rh1 3_555 . 4_655 73.08(3) ?
Eu Al2 Al1 3_555 . 5_554 65.51(4) ?
Eu Al2 Al1 3_555 . 6_654 125.20(7) ?
Eu Al2 Al1 3_555 . 7_556 65.51(3) ?
Eu Al2 Al1 3_555 . 9_656 125.20(7) ?
Eu Al2 Al2 3_555 . 2_655 172.01(11) ?
Eu Al2 Al2 3_555 . 3_665 112.01(8) ?
Eu Al2 Al3 3_555 . 4_665 115.58(3) ?
Eu Al2 Al3 3_555 . 7_555 115.58(3) ?
Rh1 Al2 Rh1 . . 4_655 136.65(9) ?
Rh1 Al2 Al1 . . 5_554 59.66(4) ?
Rh1 Al2 Al1 . . 6_654 59.66(4) ?
Rh1 Al2 Al1 . . 7_556 125.53(5) ?
Rh1 Al2 Al1 . . 9_656 125.53(8) ?
Rh1 Al2 Al2 . . 2_655 108.65(3) ?
Rh1 Al2 Al2 . . 3_665 108.65(5) ?
Rh1 Al2 Al3 . . 4_665 168.46(8) ?
Rh1 Al2 Al3 . . 7_555 54.89(3) ?
Rh1 Al2 Al1 4_655 . 5_554 125.53(5) ?
Rh1 Al2 Al1 4_655 . 6_654 125.53(8) ?
Rh1 Al2 Al1 4_655 . 7_556 59.66(4) ?
Rh1 Al2 Al1 4_655 . 9_656 59.66(4) ?
Rh1 Al2 Al2 4_655 . 2_655 108.65(3) ?
Rh1 Al2 Al2 4_655 . 3_665 108.65(5) ?
Rh1 Al2 Al3 4_655 . 4_665 54.89(3) ?
Rh1 Al2 Al3 4_655 . 7_555 168.46(8) ?
Al1 Al2 Al1 5_554 . 6_654 107.20(5) ?
Al1 Al2 Al1 5_554 . 7_556 71.53(7) ?
Al1 Al2 Al1 5_554 . 9_656 168.21(10) ?
Al1 Al2 Al2 5_554 . 2_655 108.27(9) ?
Al1 Al2 Al2 5_554 . 3_665 60.57(7) ?
Al1 Al2 Al3 5_554 . 4_665 115.64(9) ?
Al1 Al2 Al3 5_554 . 7_555 56.96(4) ?
Al1 Al2 Al1 6_654 . 7_556 168.21(9) ?
Al1 Al2 Al1 6_654 . 9_656 71.53(6) ?
Al1 Al2 Al2 6_654 . 2_655 60.57(5) ?
Al1 Al2 Al2 6_654 . 3_665 108.27(6) ?
Al1 Al2 Al3 6_654 . 4_665 115.64(5) ?
Al1 Al2 Al3 6_654 . 7_555 56.96(3) ?
Al1 Al2 Al1 7_556 . 9_656 107.20(5) ?
Al1 Al2 Al2 7_556 . 2_655 108.27(9) ?
Al1 Al2 Al2 7_556 . 3_665 60.57(6) ?
Al1 Al2 Al3 7_556 . 4_665 56.96(4) ?
Al1 Al2 Al3 7_556 . 7_555 115.64(9) ?
Al1 Al2 Al2 9_656 . 2_655 60.57(6) ?
Al1 Al2 Al2 9_656 . 3_665 108.27(7) ?
Al1 Al2 Al3 9_656 . 4_665 56.96(4) ?
Al1 Al2 Al3 9_656 . 7_555 115.64(5) ?
Al2 Al2 Al2 2_655 . 3_665 60.00(9) ?
Al2 Al2 Al3 2_655 . 4_665 61.68(4) ?
Al2 Al2 Al3 2_655 . 7_555 61.68(4) ?
Al2 Al2 Al3 3_665 . 4_665 61.68(5) ?
Al2 Al2 Al3 3_665 . 7_555 61.68(5) ?
Al3 Al2 Al3 4_665 . 7_555 113.57(8) ?
Eu Al3 Eu . . 2_665 72.27(6) ?
Eu Al3 Eu . . 3_565 72.27(6) ?
Eu Al3 Rh1 . . 1_565 134.06(11) ?
Eu Al3 Rh1 . . 2_555 70.99(4) ?
Eu Al3 Rh1 . . 3_665 70.99(4) ?
Eu Al3 Al1 . . 10_665 122.58(6) ?
Eu Al3 Al1 . . 11_555 63.97(4) ?
Eu Al3 Al1 . . 12_565 122.58(6) ?
Eu Al3 Al2 . . 4_664 170.30(8) ?
Eu Al3 Al2 . . 5_564 115.23(4) ?
Eu Al3 Al2 . . 6_554 115.23(3) ?
Eu Al3 Eu 2_665 . 3_565 72.27(6) ?
Eu Al3 Rh1 2_665 . 1_565 70.99(4) ?
Eu Al3 Rh1 2_665 . 2_555 134.06(11) ?
Eu Al3 Rh1 2_665 . 3_665 70.99(4) ?
Eu Al3 Al1 2_665 . 10_665 63.97(4) ?
Eu Al3 Al1 2_665 . 11_555 122.58(7) ?
Eu Al3 Al1 2_665 . 12_565 122.58(6) ?
Eu Al3 Al2 2_665 . 4_664 115.23(2) ?
Eu Al3 Al2 2_665 . 5_564 170.30(8) ?
Eu Al3 Al2 2_665 . 6_554 115.23(5) ?
Eu Al3 Rh1 3_565 . 1_565 70.99(4) ?
Eu Al3 Rh1 3_565 . 2_555 70.99(4) ?
Eu Al3 Rh1 3_565 . 3_665 134.06(11) ?
Eu Al3 Al1 3_565 . 10_665 122.58(6) ?
Eu Al3 Al1 3_565 . 11_555 122.58(6) ?
Eu Al3 Al1 3_565 . 12_565 63.97(4) ?
Eu Al3 Al2 3_565 . 4_664 115.23(4) ?
Eu Al3 Al2 3_565 . 5_564 115.23(5) ?
Eu Al3 Al2 3_565 . 6_554 170.30(8) ?
Rh1 Al3 Rh1 1_565 . 2_555 119.960(6) ?
Rh1 Al3 Rh1 1_565 . 3_665 119.960(6) ?
Rh1 Al3 Al1 1_565 . 10_665 61.04(3) ?
Rh1 Al3 Al1 1_565 . 11_555 161.96(13) ?
Rh1 Al3 Al1 1_565 . 12_565 61.04(3) ?
Rh1 Al3 Al2 1_565 . 4_664 55.63(5) ?
Rh1 Al3 Al2 1_565 . 5_564 104.90(9) ?
Rh1 Al3 Al2 1_565 . 6_554 104.90(8) ?
Rh1 Al3 Rh1 2_555 . 3_665 119.960(6) ?
Rh1 Al3 Al1 2_555 . 10_665 161.96(13) ?
Rh1 Al3 Al1 2_555 . 11_555 61.04(4) ?
Rh1 Al3 Al1 2_555 . 12_565 61.04(2) ?
Rh1 Al3 Al2 2_555 . 4_664 104.90(8) ?
Rh1 Al3 Al2 2_555 . 5_564 55.63(5) ?
Rh1 Al3 Al2 2_555 . 6_554 104.90(8) ?
Rh1 Al3 Al1 3_665 . 10_665 61.04(3) ?
Rh1 Al3 Al1 3_665 . 11_555 61.04(4) ?
Rh1 Al3 Al1 3_665 . 12_565 161.96(13) ?
Rh1 Al3 Al2 3_665 . 4_664 104.90(9) ?
Rh1 Al3 Al2 3_665 . 5_564 104.90(10) ?
Rh1 Al3 Al2 3_665 . 6_554 55.63(6) ?
Al1 Al3 Al1 10_665 . 11_555 111.93(7) ?
Al1 Al3 Al1 10_665 . 12_565 111.93(7) ?
Al1 Al3 Al2 10_665 . 4_664 59.66(6) ?
Al1 Al3 Al2 10_665 . 5_564 106.33(11) ?
Al1 Al3 Al2 10_665 . 6_554 59.66(6) ?
Al1 Al3 Al1 11_555 . 12_565 111.93(7) ?
Al1 Al3 Al2 11_555 . 4_664 106.33(11) ?
Al1 Al3 Al2 11_555 . 5_564 59.66(8) ?
Al1 Al3 Al2 11_555 . 6_554 59.66(6) ?
Al1 Al3 Al2 12_565 . 4_664 59.66(6) ?
Al1 Al3 Al2 12_565 . 5_564 59.66(8) ?
Al1 Al3 Al2 12_565 . 6_554 106.33(11) ?
Al2 Al3 Al2 4_664 . 5_564 56.64(7) ?
Al2 Al3 Al2 4_664 . 6_554 56.64(7) ?
Al2 Al3 Al2 5_564 . 6_554 56.64(9) ?
Eu Al4 Eu . . 2_555 120.000(11) ?
Eu Al4 Eu . . 3_555 120.000(8) ?
Eu Al4 Rh2 . . . 90 ?
Eu Al4 Rh2 . . 4_555 90 ?
Eu Al4 Al1 . . 4_554 146.41(3) ?
Eu Al4 Al1 . . 5_554 65.39(4) ?
Eu Al4 Al1 . . 6_554 65.387(18) ?
Eu Al4 Al1 . . 7_556 65.39(2) ?
Eu Al4 Al1 . . 8_556 146.41(3) ?
Eu Al4 Al1 . . 9_556 65.39(2) ?
Eu Al4 Eu 2_555 . 3_555 120.000(11) ?
Eu Al4 Rh2 2_555 . . 90 ?
Eu Al4 Rh2 2_555 . 4_555 90 ?
Eu Al4 Al1 2_555 . 4_554 65.39(2) ?
Eu Al4 Al1 2_555 . 5_554 146.41(3) ?
Eu Al4 Al1 2_555 . 6_554 65.39(3) ?
Eu Al4 Al1 2_555 . 7_556 146.41(3) ?
Eu Al4 Al1 2_555 . 8_556 65.39(4) ?
Eu Al4 Al1 2_555 . 9_556 65.387(19) ?
Eu Al4 Rh2 3_555 . . 90 ?
Eu Al4 Rh2 3_555 . 4_555 90 ?
Eu Al4 Al1 3_555 . 4_554 65.39(3) ?
Eu Al4 Al1 3_555 . 5_554 65.39(4) ?
Eu Al4 Al1 3_555 . 6_554 146.41(3) ?
Eu Al4 Al1 3_555 . 7_556 65.39(3) ?
Eu Al4 Al1 3_555 . 8_556 65.39(4) ?
Eu Al4 Al1 3_555 . 9_556 146.41(3) ?
Rh2 Al4 Rh2 . . 4_555 180.0(5) ?
Rh2 Al4 Al1 . . 4_554 56.41(3) ?
Rh2 Al4 Al1 . . 5_554 56.41(3) ?
Rh2 Al4 Al1 . . 6_554 56.41(3) ?
Rh2 Al4 Al1 . . 7_556 123.59(3) ?
Rh2 Al4 Al1 . . 8_556 123.59(3) ?
Rh2 Al4 Al1 . . 9_556 123.59(3) ?
Rh2 Al4 Al1 4_555 . 4_554 123.59(3) ?
Rh2 Al4 Al1 4_555 . 5_554 123.59(3) ?
Rh2 Al4 Al1 4_555 . 6_554 123.59(3) ?
Rh2 Al4 Al1 4_555 . 7_556 56.41(3) ?
Rh2 Al4 Al1 4_555 . 8_556 56.41(3) ?
Rh2 Al4 Al1 4_555 . 9_556 56.41(3) ?
Al1 Al4 Al1 4_554 . 5_554 92.34(4) ?
Al1 Al4 Al1 4_554 . 6_554 92.34(4) ?
Al1 Al4 Al1 4_554 . 7_556 130.77(4) ?
Al1 Al4 Al1 4_554 . 8_556 67.19(4) ?
Al1 Al4 Al1 4_554 . 9_556 130.77(3) ?
Al1 Al4 Al1 5_554 . 6_554 92.34(5) ?
Al1 Al4 Al1 5_554 . 7_556 67.19(4) ?
Al1 Al4 Al1 5_554 . 8_556 130.77(6) ?
Al1 Al4 Al1 5_554 . 9_556 130.77(4) ?
Al1 Al4 Al1 6_554 . 7_556 130.77(3) ?
Al1 Al4 Al1 6_554 . 8_556 130.77(4) ?
Al1 Al4 Al1 6_554 . 9_556 67.19(5) ?
Al1 Al4 Al1 7_556 . 8_556 92.34(4) ?
Al1 Al4 Al1 7_556 . 9_556 92.34(4) ?
Al1 Al4 Al1 8_556 . 9_556 92.34(5) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 1958806'
loop_
_audit_author_name
_audit_author_address
'Oliver Janka'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-10-11 deposited with the CCDC.	2020-04-22 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Al9 Ca2 Ir3'
_chemical_formula_weight         899.7
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'C m c m'
_symmetry_space_group_name_Hall  '-C -2x;-2yc;-2zc'
_symmetry_Int_Tables_number      63

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z+1/2
3 -x,y,-z+1/2
4 x,-y,-z
5 -x,-y,-z
6 x,y,-z+1/2
7 x,-y,z+1/2
8 -x,y,z
9 x+1/2,y+1/2,z
10 -x+1/2,-y+1/2,z+1/2
11 -x+1/2,y+1/2,-z+1/2
12 x+1/2,-y+1/2,-z
13 -x+1/2,-y+1/2,-z
14 x+1/2,y+1/2,-z+1/2
15 x+1/2,-y+1/2,z+1/2
16 -x+1/2,y+1/2,z

_cell_length_a                   12.9550(3)
_cell_length_b                   7.5834(5)
_cell_length_c                   9.6175(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     944.85

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            4

_cell_measurement_reflns_used    2541
_cell_measurement_theta_min      4.24
_cell_measurement_theta_max      33.52
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    6.32
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1552

_exptl_absorpt_coefficient_mu    44.0
_exptl_crystal_description       blocl
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            silver
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.1266
_exptl_absorpt_correction_T_max  0.3481
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'IPDS-II Stoe'
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       '??integration method??'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            6004
_diffrn_reflns_theta_min         3.11
_diffrn_reflns_theta_max         33.49
_diffrn_reflns_theta_full        33.49
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measured_fraction_theta_full 0.99
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             997
_reflns_number_gt                521
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0214
_refine_ls_wR_factor_gt          0.0458
_refine_ls_R_factor_all          0.0508
_refine_ls_wR_factor_ref         0.0496
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_goodness_of_fit_gt    1.45
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         997
_refine_ls_number_parameters     42
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(I)+0.0004I²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0000
_refine_diff_density_max         3.24
_refine_diff_density_min         -2.00
_refine_ls_extinction_method     
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       790(20)
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al 0.0645 0.0514 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ca 0.2262 0.3064 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ir -1.4442 7.9887 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca Ca 0.33881(15) 0.3330(3) 0.25 Uani 0.0072(4) 8 1 d . . .
Ir1 Ir 0.32879(2) 0 0 Uani 0.00437(8) 8 1 d . . .
Ir2 Ir 0 0 0 Uani 0.00467(12) 4 1 d . . .
Al1 Al 0.16702(15) 0.1680(3) 0.0696(2) Uani 0.0066(5) 16 1 d . . .
Al2 Al 0.1062(2) 0.4409(4) 0.25 Uani 0.0066(7) 8 1 d . . .
Al3 Al 0 0.3352(5) 0.5453(4) Uani 0.0086(8) 8 1 d . . .
Al4 Al 0 0.1295(6) 0.25 Uani 0.0060(10) 4 1 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ca Ir1 . . 3.4895(15) ?
Ca Ir1 . 10_555 3.4782(14) ?
Ca Ir1 . 13_555 3.4782(14) ?
Ca Ir1 . 6_555 3.4895(15) ?
Ca Ir2 . 9_555 3.4271(14) ?
Ca Ir2 . 10_555 3.4271(14) ?
Ca Al1 . . 3.087(3) ?
Ca Al1 . 10_555 3.074(2) ?
Ca Al1 . 11_555 3.077(3) ?
Ca Al1 . 13_555 3.074(2) ?
Ca Al1 . 6_555 3.087(3) ?
Ca Al1 . 16_555 3.077(3) ?
Ca Al2 . . 3.123(3) ?
Ca Al2 . 11_545 3.058(4) ?
Ca Al3 . 10_554 3.141(3) ?
Ca Al3 . 12_556 3.141(3) ?
Ca Al4 . 9_555 3.068(4) ?
Ir1 Al1 . . 2.542(2) ?
Ir1 Al1 . 4_555 2.542(2) ?
Ir1 Al1 . 13_555 2.605(2) ?
Ir1 Al1 . 16_545 2.605(2) ?
Ir1 Al2 . 10_554 2.5868(11) ?
Ir1 Al2 . 11_545 2.5868(11) ?
Ir1 Al3 . 10_554 2.5828(19) ?
Ir1 Al3 . 11_545 2.5828(19) ?
Ir2 Al1 . . 2.599(2) ?
Ir2 Al1 . 4_555 2.599(2) ?
Ir2 Al1 . 5_555 2.599(2) ?
Ir2 Al1 . 8_555 2.599(2) ?
Ir2 Al3 . 2_554 2.579(4) ?
Ir2 Al3 . 3_555 2.579(4) ?
Ir2 Al4 . . 2.5971(17) ?
Ir2 Al4 . 2_554 2.5971(17) ?
Al1 Al1 . 4_555 2.878(3) ?
Al1 Al1 . 13_555 2.821(3) ?
Al1 Al1 . 6_555 3.471(3) ?
Al1 Al2 . . 2.813(3) ?
Al1 Al2 . 11_545 3.822(3) ?
Al1 Al3 . 3_555 2.740(3) ?
Al1 Al4 . . 2.789(2) ?
Al2 Al2 . 3_555 2.751(4) ?
Al2 Al3 . . 3.256(4) ?
Al2 Al3 . 2_564 2.941(4) ?
Al2 Al3 . 3_555 3.256(4) ?
Al2 Al3 . 4_566 2.941(4) ?
Al2 Al4 . . 2.733(5) ?
Al3 Al3 . 3_556 3.938(5) ?
Al3 Al3 . 4_566 2.646(5) ?
Al3 Al4 . . 3.240(4) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ir1 Ca Ir1 . . 10_555 135.77(6) ?
Ir1 Ca Ir1 . . 13_555 76.345(19) ?
Ir1 Ca Ir1 . . 6_555 87.11(5) ?
Ir1 Ca Ir2 . . 9_555 78.851(18) ?
Ir1 Ca Ir2 . . 10_555 140.67(6) ?
Ir1 Ca Al1 . . . 44.97(4) ?
Ir1 Ca Al1 . . 10_555 133.32(7) ?
Ir1 Ca Al1 . . 11_555 170.10(6) ?
Ir1 Ca Al1 . . 13_555 46.24(4) ?
Ir1 Ca Al1 . . 6_555 93.85(7) ?
Ir1 Ca Al1 . . 16_555 102.01(4) ?
Ir1 Ca Al2 . . . 98.84(6) ?
Ir1 Ca Al2 . . 11_545 45.96(3) ?
Ir1 Ca Al3 . . 10_554 45.47(5) ?
Ir1 Ca Al3 . . 12_556 99.36(9) ?
Ir1 Ca Al4 . . 9_555 123.75(5) ?
Ir1 Ca Ir1 10_555 . 13_555 87.46(4) ?
Ir1 Ca Ir1 10_555 . 6_555 76.345(19) ?
Ir1 Ca Ir2 10_555 . 9_555 136.96(6) ?
Ir1 Ca Ir2 10_555 . 10_555 76.17(2) ?
Ir1 Ca Al1 10_555 . . 94.94(6) ?
Ir1 Ca Al1 10_555 . 10_555 45.14(4) ?
Ir1 Ca Al1 10_555 . 11_555 45.12(4) ?
Ir1 Ca Al1 10_555 . 13_555 132.59(7) ?
Ir1 Ca Al1 10_555 . 6_555 46.29(5) ?
Ir1 Ca Al1 10_555 . 16_555 94.25(6) ?
Ir1 Ca Al2 10_555 . . 45.75(3) ?
Ir1 Ca Al2 10_555 . 11_545 119.96(5) ?
Ir1 Ca Al3 10_555 . 10_554 175.01(8) ?
Ir1 Ca Al3 10_555 . 12_556 97.45(6) ?
Ir1 Ca Al4 10_555 . 9_555 99.10(6) ?
Ir1 Ca Ir1 13_555 . 6_555 135.77(6) ?
Ir1 Ca Ir2 13_555 . 9_555 76.17(2) ?
Ir1 Ca Ir2 13_555 . 10_555 136.96(6) ?
Ir1 Ca Al1 13_555 . . 46.29(5) ?
Ir1 Ca Al1 13_555 . 10_555 132.59(7) ?
Ir1 Ca Al1 13_555 . 11_555 94.25(6) ?
Ir1 Ca Al1 13_555 . 13_555 45.14(4) ?
Ir1 Ca Al1 13_555 . 6_555 94.94(6) ?
Ir1 Ca Al1 13_555 . 16_555 45.12(4) ?
Ir1 Ca Al2 13_555 . . 45.75(3) ?
Ir1 Ca Al2 13_555 . 11_545 119.96(5) ?
Ir1 Ca Al3 13_555 . 10_554 97.45(6) ?
Ir1 Ca Al3 13_555 . 12_556 175.01(8) ?
Ir1 Ca Al4 13_555 . 9_555 99.10(6) ?
Ir1 Ca Ir2 6_555 . 9_555 140.67(6) ?
Ir1 Ca Ir2 6_555 . 10_555 78.851(18) ?
Ir1 Ca Al1 6_555 . . 93.85(7) ?
Ir1 Ca Al1 6_555 . 10_555 46.24(4) ?
Ir1 Ca Al1 6_555 . 11_555 102.01(4) ?
Ir1 Ca Al1 6_555 . 13_555 133.32(7) ?
Ir1 Ca Al1 6_555 . 6_555 44.97(4) ?
Ir1 Ca Al1 6_555 . 16_555 170.10(6) ?
Ir1 Ca Al2 6_555 . . 98.84(6) ?
Ir1 Ca Al2 6_555 . 11_545 45.96(3) ?
Ir1 Ca Al3 6_555 . 10_554 99.36(9) ?
Ir1 Ca Al3 6_555 . 12_556 45.47(5) ?
Ir1 Ca Al4 6_555 . 9_555 123.75(5) ?
Ir2 Ca Ir2 9_555 . 10_555 89.11(5) ?
Ir2 Ca Al1 9_555 . . 101.23(4) ?
Ir2 Ca Al1 9_555 . 10_555 135.83(7) ?
Ir2 Ca Al1 9_555 . 11_555 96.06(7) ?
Ir2 Ca Al1 9_555 . 13_555 46.73(4) ?
Ir2 Ca Al1 9_555 . 6_555 169.55(6) ?
Ir2 Ca Al1 9_555 . 16_555 46.71(4) ?
Ir2 Ca Al2 9_555 . . 119.42(6) ?
Ir2 Ca Al2 9_555 . 11_545 102.55(6) ?
Ir2 Ca Al3 9_555 . 10_554 45.99(7) ?
Ir2 Ca Al3 9_555 . 12_556 100.65(7) ?
Ir2 Ca Al4 9_555 . 9_555 46.73(3) ?
Ir2 Ca Al1 10_555 . . 169.55(6) ?
Ir2 Ca Al1 10_555 . 10_555 46.73(4) ?
Ir2 Ca Al1 10_555 . 11_555 46.71(4) ?
Ir2 Ca Al1 10_555 . 13_555 135.83(7) ?
Ir2 Ca Al1 10_555 . 6_555 101.23(4) ?
Ir2 Ca Al1 10_555 . 16_555 96.06(7) ?
Ir2 Ca Al2 10_555 . . 119.42(6) ?
Ir2 Ca Al2 10_555 . 11_545 102.55(6) ?
Ir2 Ca Al3 10_555 . 10_554 100.65(7) ?
Ir2 Ca Al3 10_555 . 12_556 45.99(7) ?
Ir2 Ca Al4 10_555 . 9_555 46.73(3) ?
Al1 Ca Al1 . . 10_555 122.90(8) ?
Al1 Ca Al1 . . 11_555 129.34(8) ?
Al1 Ca Al1 . . 13_555 54.50(6) ?
Al1 Ca Al1 . . 6_555 68.40(7) ?
Al1 Ca Al1 . . 16_555 90.00(6) ?
Al1 Ca Al2 . . . 53.88(7) ?
Al1 Ca Al2 . . 11_545 76.93(7) ?
Al1 Ca Al3 . . 10_554 87.84(7) ?
Al1 Ca Al3 . . 12_556 131.83(10) ?
Al1 Ca Al4 . . 9_555 141.97(6) ?
Al1 Ca Al1 10_555 . 11_555 55.79(6) ?
Al1 Ca Al1 10_555 . 13_555 177.17(9) ?
Al1 Ca Al1 10_555 . 6_555 54.50(6) ?
Al1 Ca Al1 10_555 . 16_555 124.42(8) ?
Al1 Ca Al2 10_555 . . 88.68(5) ?
Al1 Ca Al2 10_555 . 11_545 90.18(6) ?
Al1 Ca Al3 10_555 . 10_554 129.93(9) ?
Al1 Ca Al3 10_555 . 12_556 52.31(7) ?
Al1 Ca Al4 10_555 . 9_555 91.07(5) ?
Al1 Ca Al1 11_555 . 13_555 124.42(8) ?
Al1 Ca Al1 11_555 . 6_555 90.00(6) ?
Al1 Ca Al1 11_555 . 16_555 68.65(7) ?
Al1 Ca Al2 11_555 . . 76.12(7) ?
Al1 Ca Al2 11_555 . 11_545 143.95(5) ?
Al1 Ca Al3 11_555 . 10_554 134.84(9) ?
Al1 Ca Al3 11_555 . 12_556 89.90(8) ?
Al1 Ca Al4 11_555 . 9_555 53.98(6) ?
Al1 Ca Al1 13_555 . 6_555 122.90(8) ?
Al1 Ca Al1 13_555 . 16_555 55.79(6) ?
Al1 Ca Al2 13_555 . . 88.68(5) ?
Al1 Ca Al2 13_555 . 11_545 90.18(6) ?
Al1 Ca Al3 13_555 . 10_554 52.31(7) ?
Al1 Ca Al3 13_555 . 12_556 129.93(9) ?
Al1 Ca Al4 13_555 . 9_555 91.07(5) ?
Al1 Ca Al1 6_555 . 16_555 129.34(8) ?
Al1 Ca Al2 6_555 . . 53.88(7) ?
Al1 Ca Al2 6_555 . 11_545 76.93(7) ?
Al1 Ca Al3 6_555 . 10_554 131.83(10) ?
Al1 Ca Al3 6_555 . 12_556 87.84(7) ?
Al1 Ca Al4 6_555 . 9_555 141.97(6) ?
Al1 Ca Al2 16_555 . . 76.12(7) ?
Al1 Ca Al2 16_555 . 11_545 143.95(5) ?
Al1 Ca Al3 16_555 . 10_554 89.90(8) ?
Al1 Ca Al3 16_555 . 12_556 134.84(9) ?
Al1 Ca Al4 16_555 . 9_555 53.98(6) ?
Al2 Ca Al2 . . 11_545 118.66(10) ?
Al2 Ca Al3 . . 10_554 138.42(6) ?
Al2 Ca Al3 . . 12_556 138.42(6) ?
Al2 Ca Al4 . . 9_555 117.70(10) ?
Al2 Ca Al3 11_545 . 10_554 56.63(8) ?
Al2 Ca Al3 11_545 . 12_556 56.63(8) ?
Al2 Ca Al4 11_545 . 9_555 123.63(10) ?
Al3 Ca Al3 10_554 . 12_556 77.63(9) ?
Al3 Ca Al4 10_554 . 9_555 81.09(8) ?
Al3 Ca Al4 12_556 . 9_555 81.09(8) ?
Ca Ir1 Ca . . 10_554 103.65(4) ?
Ca Ir1 Ca . . 11_545 79.07(4) ?
Ca Ir1 Ca . . 4_555 175.74(5) ?
Ca Ir1 Al1 . . . 59.11(6) ?
Ca Ir1 Al1 . . 4_555 125.08(6) ?
Ca Ir1 Al1 . . 13_555 58.45(5) ?
Ca Ir1 Al1 . . 16_545 121.44(5) ?
Ca Ir1 Al2 . . 10_554 120.20(7) ?
Ca Ir1 Al2 . . 11_545 58.18(7) ?
Ca Ir1 Al3 . . 10_554 60.11(8) ?
Ca Ir1 Al3 . . 11_545 115.75(8) ?
Ca Ir1 Ca 10_554 . 11_545 102.75(4) ?
Ca Ir1 Ca 10_554 . 4_555 79.07(4) ?
Ca Ir1 Al1 10_554 . . 59.00(6) ?
Ca Ir1 Al1 10_554 . 4_555 59.07(6) ?
Ca Ir1 Al1 10_554 . 13_555 58.92(6) ?
Ca Ir1 Al1 10_554 . 16_545 122.84(6) ?
Ca Ir1 Al2 10_554 . 10_554 59.85(7) ?
Ca Ir1 Al2 10_554 . 11_545 155.35(7) ?
Ca Ir1 Al3 10_554 . 10_554 118.46(9) ?
Ca Ir1 Al3 10_554 . 11_545 126.55(9) ?
Ca Ir1 Ca 11_545 . 4_555 103.65(4) ?
Ca Ir1 Al1 11_545 . . 59.07(6) ?
Ca Ir1 Al1 11_545 . 4_555 59.00(6) ?
Ca Ir1 Al1 11_545 . 13_555 122.84(6) ?
Ca Ir1 Al1 11_545 . 16_545 58.92(6) ?
Ca Ir1 Al2 11_545 . 10_554 155.35(7) ?
Ca Ir1 Al2 11_545 . 11_545 59.85(7) ?
Ca Ir1 Al3 11_545 . 10_554 126.55(9) ?
Ca Ir1 Al3 11_545 . 11_545 118.46(9) ?
Ca Ir1 Al1 4_555 . . 125.08(6) ?
Ca Ir1 Al1 4_555 . 4_555 59.11(6) ?
Ca Ir1 Al1 4_555 . 13_555 121.44(5) ?
Ca Ir1 Al1 4_555 . 16_545 58.45(5) ?
Ca Ir1 Al2 4_555 . 10_554 58.18(7) ?
Ca Ir1 Al2 4_555 . 11_545 120.20(7) ?
Ca Ir1 Al3 4_555 . 10_554 115.75(8) ?
Ca Ir1 Al3 4_555 . 11_545 60.11(8) ?
Al1 Ir1 Al1 . . 4_555 68.96(7) ?
Al1 Ir1 Al1 . . 13_555 66.45(7) ?
Al1 Ir1 Al1 . . 16_545 115.72(7) ?
Al1 Ir1 Al2 . . 10_554 115.23(8) ?
Al1 Ir1 Al2 . . 11_545 96.35(8) ?
Al1 Ir1 Al3 . . 10_554 114.90(8) ?
Al1 Ir1 Al3 . . 11_545 174.15(9) ?
Al1 Ir1 Al1 4_555 . 13_555 115.72(7) ?
Al1 Ir1 Al1 4_555 . 16_545 66.45(7) ?
Al1 Ir1 Al2 4_555 . 10_554 96.35(8) ?
Al1 Ir1 Al2 4_555 . 11_545 115.23(8) ?
Al1 Ir1 Al3 4_555 . 10_554 174.15(9) ?
Al1 Ir1 Al3 4_555 . 11_545 114.90(8) ?
Al1 Ir1 Al1 13_555 . 16_545 177.61(6) ?
Al1 Ir1 Al2 13_555 . 10_554 65.62(9) ?
Al1 Ir1 Al2 13_555 . 11_545 113.53(9) ?
Al1 Ir1 Al3 13_555 . 10_554 63.76(9) ?
Al1 Ir1 Al3 13_555 . 11_545 113.97(9) ?
Al1 Ir1 Al2 16_545 . 10_554 113.53(9) ?
Al1 Ir1 Al2 16_545 . 11_545 65.62(9) ?
Al1 Ir1 Al3 16_545 . 10_554 113.97(9) ?
Al1 Ir1 Al3 16_545 . 11_545 63.76(9) ?
Al2 Ir1 Al2 10_554 . 11_545 141.99(8) ?
Al2 Ir1 Al3 10_554 . 10_554 78.07(10) ?
Al2 Ir1 Al3 10_554 . 11_545 69.35(11) ?
Al2 Ir1 Al3 11_545 . 10_554 69.35(11) ?
Al2 Ir1 Al3 11_545 . 11_545 78.07(10) ?
Al3 Ir1 Al3 10_554 . 11_545 61.64(10) ?
Ca Ir2 Ca 9_445 . 10_554 180.0(5) ?
Ca Ir2 Ca 9_445 . 11_545 75.08(4) ?
Ca Ir2 Ca 9_445 . 12_455 104.92(4) ?
Ca Ir2 Al1 9_445 . . 120.52(5) ?
Ca Ir2 Al1 9_445 . 4_555 120.45(6) ?
Ca Ir2 Al1 9_445 . 5_555 59.48(5) ?
Ca Ir2 Al1 9_445 . 8_555 59.55(6) ?
Ca Ir2 Al3 9_445 . 2_554 61.14(7) ?
Ca Ir2 Al3 9_445 . 3_555 118.86(7) ?
Ca Ir2 Al4 9_445 . . 59.34(7) ?
Ca Ir2 Al4 9_445 . 2_554 120.66(7) ?
Ca Ir2 Ca 10_554 . 11_545 104.92(4) ?
Ca Ir2 Ca 10_554 . 12_455 75.08(4) ?
Ca Ir2 Al1 10_554 . . 59.48(5) ?
Ca Ir2 Al1 10_554 . 4_555 59.55(6) ?
Ca Ir2 Al1 10_554 . 5_555 120.52(5) ?
Ca Ir2 Al1 10_554 . 8_555 120.45(6) ?
Ca Ir2 Al3 10_554 . 2_554 118.86(7) ?
Ca Ir2 Al3 10_554 . 3_555 61.14(7) ?
Ca Ir2 Al4 10_554 . . 120.66(7) ?
Ca Ir2 Al4 10_554 . 2_554 59.34(7) ?
Ca Ir2 Ca 11_545 . 12_455 180.0(5) ?
Ca Ir2 Al1 11_545 . . 59.55(6) ?
Ca Ir2 Al1 11_545 . 4_555 59.48(5) ?
Ca Ir2 Al1 11_545 . 5_555 120.45(6) ?
Ca Ir2 Al1 11_545 . 8_555 120.52(5) ?
Ca Ir2 Al3 11_545 . 2_554 61.14(7) ?
Ca Ir2 Al3 11_545 . 3_555 118.86(7) ?
Ca Ir2 Al4 11_545 . . 59.34(7) ?
Ca Ir2 Al4 11_545 . 2_554 120.66(7) ?
Ca Ir2 Al1 12_455 . . 120.45(6) ?
Ca Ir2 Al1 12_455 . 4_555 120.52(5) ?
Ca Ir2 Al1 12_455 . 5_555 59.55(6) ?
Ca Ir2 Al1 12_455 . 8_555 59.48(5) ?
Ca Ir2 Al3 12_455 . 2_554 118.86(7) ?
Ca Ir2 Al3 12_455 . 3_555 61.14(7) ?
Ca Ir2 Al4 12_455 . . 120.66(7) ?
Ca Ir2 Al4 12_455 . 2_554 59.34(7) ?
Al1 Ir2 Al1 . . 4_555 67.26(7) ?
Al1 Ir2 Al1 . . 5_555 180.0(5) ?
Al1 Ir2 Al1 . . 8_555 112.74(7) ?
Al1 Ir2 Al3 . . 2_554 116.09(6) ?
Al1 Ir2 Al3 . . 3_555 63.91(6) ?
Al1 Ir2 Al4 . . . 64.93(6) ?
Al1 Ir2 Al4 . . 2_554 115.07(6) ?
Al1 Ir2 Al1 4_555 . 5_555 112.74(7) ?
Al1 Ir2 Al1 4_555 . 8_555 180.0(5) ?
Al1 Ir2 Al3 4_555 . 2_554 63.91(6) ?
Al1 Ir2 Al3 4_555 . 3_555 116.09(6) ?
Al1 Ir2 Al4 4_555 . . 115.07(6) ?
Al1 Ir2 Al4 4_555 . 2_554 64.93(6) ?
Al1 Ir2 Al1 5_555 . 8_555 67.26(7) ?
Al1 Ir2 Al3 5_555 . 2_554 63.91(6) ?
Al1 Ir2 Al3 5_555 . 3_555 116.09(6) ?
Al1 Ir2 Al4 5_555 . . 115.07(6) ?
Al1 Ir2 Al4 5_555 . 2_554 64.93(6) ?
Al1 Ir2 Al3 8_555 . 2_554 116.09(6) ?
Al1 Ir2 Al3 8_555 . 3_555 63.91(6) ?
Al1 Ir2 Al4 8_555 . . 64.93(6) ?
Al1 Ir2 Al4 8_555 . 2_554 115.07(6) ?
Al3 Ir2 Al3 2_554 . 3_555 180.0(5) ?
Al3 Ir2 Al4 2_554 . . 102.49(13) ?
Al3 Ir2 Al4 2_554 . 2_554 77.51(13) ?
Al3 Ir2 Al4 3_555 . . 77.51(13) ?
Al3 Ir2 Al4 3_555 . 2_554 102.49(13) ?
Al4 Ir2 Al4 . . 2_554 180.0(5) ?
Ca Al1 Ca . . 10_554 125.50(8) ?
Ca Al1 Ca . . 11_545 92.02(7) ?
Ca Al1 Ir1 . . . 75.93(6) ?
Ca Al1 Ir1 . . 13_555 74.79(6) ?
Ca Al1 Ir2 . . . 160.69(9) ?
Ca Al1 Al1 . . 4_555 128.33(9) ?
Ca Al1 Al1 . . 13_555 62.52(6) ?
Ca Al1 Al1 . . 6_555 55.80(5) ?
Ca Al1 Al2 . . . 63.71(8) ?
Ca Al1 Al2 . . 11_545 51.19(7) ?
Ca Al1 Al3 . . 3_555 127.46(11) ?
Ca Al1 Al4 . . . 104.60(8) ?
Ca Al1 Ca 10_554 . 11_545 124.12(8) ?
Ca Al1 Ir1 10_554 . . 75.87(7) ?
Ca Al1 Ir1 10_554 . 13_555 75.31(7) ?
Ca Al1 Ir2 10_554 . . 73.79(7) ?
Ca Al1 Al1 10_554 . 4_555 62.15(7) ?
Ca Al1 Al1 10_554 . 13_555 62.98(7) ?
Ca Al1 Al1 10_554 . 6_555 178.59(8) ?
Ca Al1 Al2 10_554 . . 127.71(9) ?
Ca Al1 Al2 10_554 . 11_545 118.13(7) ?
Ca Al1 Al3 10_554 . 3_555 65.09(10) ?
Ca Al1 Al4 10_554 . . 127.06(8) ?
Ca Al1 Ir1 11_545 . . 75.81(6) ?
Ca Al1 Ir1 11_545 . 13_555 160.55(9) ?
Ca Al1 Ir2 11_545 . . 73.74(6) ?
Ca Al1 Al1 11_545 . 4_555 62.05(7) ?
Ca Al1 Al1 11_545 . 13_555 130.54(9) ?
Ca Al1 Al1 11_545 . 6_555 55.67(6) ?
Ca Al1 Al2 11_545 . . 104.63(9) ?
Ca Al1 Al2 11_545 . 11_545 52.48(6) ?
Ca Al1 Al3 11_545 . 3_555 126.15(10) ?
Ca Al1 Al4 11_545 . . 62.84(10) ?
Ir1 Al1 Ir1 . . 13_555 113.55(8) ?
Ir1 Al1 Ir2 . . . 111.89(8) ?
Ir1 Al1 Al1 . . 4_555 55.52(6) ?
Ir1 Al1 Al1 . . 13_555 57.85(6) ?
Ir1 Al1 Al1 . . 6_555 105.26(7) ?
Ir1 Al1 Al2 . . . 139.63(10) ?
Ir1 Al1 Al2 . . 11_545 42.27(4) ?
Ir1 Al1 Al3 . . 3_555 140.96(12) ?
Ir1 Al1 Al4 . . . 138.65(12) ?
Ir1 Al1 Ir2 13_555 . . 115.15(8) ?
Ir1 Al1 Al1 13_555 . 4_555 137.40(10) ?
Ir1 Al1 Al1 13_555 . 13_555 55.70(6) ?
Ir1 Al1 Al1 13_555 . 6_555 104.88(8) ?
Ir1 Al1 Al2 13_555 . . 56.87(6) ?
Ir1 Al1 Al2 13_555 . 11_545 122.40(8) ?
Ir1 Al1 Al3 13_555 . 3_555 57.71(8) ?
Ir1 Al1 Al4 13_555 . . 106.10(12) ?
Ir2 Al1 Al1 . . 4_555 56.37(6) ?
Ir2 Al1 Al1 . . 13_555 136.76(10) ?
Ir2 Al1 Al1 . . 6_555 104.92(7) ?
Ir2 Al1 Al2 . . . 106.64(9) ?
Ir2 Al1 Al2 . . 11_545 122.41(9) ?
Ir2 Al1 Al3 . . 3_555 57.70(8) ?
Ir2 Al1 Al4 . . . 57.51(6) ?
Al1 Al1 Al1 4_555 . 13_555 99.77(9) ?
Al1 Al1 Al1 4_555 . 6_555 117.70(9) ?
Al1 Al1 Al2 4_555 . . 159.72(11) ?
Al1 Al1 Al2 4_555 . 11_545 79.17(8) ?
Al1 Al1 Al3 4_555 . 3_555 102.84(11) ?
Al1 Al1 Al4 4_555 . . 101.33(12) ?
Al1 Al1 Al1 13_555 . 6_555 118.31(9) ?
Al1 Al1 Al2 13_555 . . 100.48(10) ?
Al1 Al1 Al2 13_555 . 11_545 80.10(7) ?
Al1 Al1 Al3 13_555 . 3_555 101.92(10) ?
Al1 Al1 Al4 13_555 . . 158.84(13) ?
Al1 Al1 Al2 6_555 . . 51.92(7) ?
Al1 Al1 Al2 6_555 . 11_545 63.00(5) ?
Al1 Al1 Al3 6_555 . 3_555 113.77(11) ?
Al1 Al1 Al4 6_555 . . 51.52(5) ?
Al2 Al1 Al2 . . 11_545 105.47(8) ?
Al2 Al1 Al3 . . 3_555 71.77(10) ?
Al2 Al1 Al4 . . . 58.40(11) ?
Al2 Al1 Al3 11_545 . 3_555 176.77(11) ?
Al2 Al1 Al4 11_545 . . 105.46(8) ?
Al3 Al1 Al4 3_555 . . 71.75(9) ?
Ca Al2 Ca . . 11_555 91.71(9) ?
Ca Al2 Ir1 . . 10_555 74.40(6) ?
Ca Al2 Ir1 . . 13_555 74.40(6) ?
Ca Al2 Al1 . . . 62.42(7) ?
Ca Al2 Al1 . . 11_555 51.41(6) ?
Ca Al2 Al1 . . 6_555 62.42(7) ?
Ca Al2 Al1 . . 16_555 51.41(6) ?
Ca Al2 Al2 . . 3_555 164.81(15) ?
Ca Al2 Al3 . . . 110.08(7) ?
Ca Al2 Al3 . . 2_564 127.06(8) ?
Ca Al2 Al3 . . 3_555 110.08(7) ?
Ca Al2 Al3 . . 4_566 127.06(8) ?
Ca Al2 Al4 . . . 105.03(12) ?
Ca Al2 Ir1 11_555 . 10_555 75.86(7) ?
Ca Al2 Ir1 11_555 . 13_555 75.86(7) ?
Ca Al2 Al1 11_555 . . 130.55(9) ?
Ca Al2 Al1 11_555 . 11_555 51.88(6) ?
Ca Al2 Al1 11_555 . 6_555 130.55(9) ?
Ca Al2 Al1 11_555 . 16_555 51.88(6) ?
Ca Al2 Al2 11_555 . 3_555 103.48(12) ?
Ca Al2 Al3 11_555 . . 109.75(9) ?
Ca Al2 Al3 11_555 . 2_564 63.11(9) ?
Ca Al2 Al3 11_555 . 3_555 109.75(9) ?
Ca Al2 Al3 11_555 . 4_566 63.11(9) ?
Ca Al2 Al4 11_555 . . 163.26(13) ?
Ir1 Al2 Ir1 10_555 . 13_555 136.71(12) ?
Ir1 Al2 Al1 10_555 . . 127.55(12) ?
Ir1 Al2 Al1 10_555 . 11_555 41.38(5) ?
Ir1 Al2 Al1 10_555 . 6_555 57.51(6) ?
Ir1 Al2 Al1 10_555 . 16_555 95.37(9) ?
Ir1 Al2 Al2 10_555 . 3_555 109.00(6) ?
Ir1 Al2 Al3 10_555 . . 50.91(5) ?
Ir1 Al2 Al3 10_555 . 2_564 132.42(14) ?
Ir1 Al2 Al3 10_555 . 3_555 172.31(12) ?
Ir1 Al2 Al3 10_555 . 4_566 55.26(6) ?
Ir1 Al2 Al4 10_555 . . 108.27(7) ?
Ir1 Al2 Al1 13_555 . . 57.51(6) ?
Ir1 Al2 Al1 13_555 . 11_555 95.37(9) ?
Ir1 Al2 Al1 13_555 . 6_555 127.55(12) ?
Ir1 Al2 Al1 13_555 . 16_555 41.38(5) ?
Ir1 Al2 Al2 13_555 . 3_555 109.00(6) ?
Ir1 Al2 Al3 13_555 . . 172.31(12) ?
Ir1 Al2 Al3 13_555 . 2_564 55.26(6) ?
Ir1 Al2 Al3 13_555 . 3_555 50.91(5) ?
Ir1 Al2 Al3 13_555 . 4_566 132.42(14) ?
Ir1 Al2 Al4 13_555 . . 108.27(7) ?
Al1 Al2 Al1 . . 11_555 113.34(10) ?
Al1 Al2 Al1 . . 6_555 76.17(10) ?
Al1 Al2 Al1 . . 16_555 80.57(7) ?
Al1 Al2 Al2 . . 3_555 106.27(11) ?
Al1 Al2 Al3 . . . 118.38(13) ?
Al1 Al2 Al3 . . 2_564 98.20(9) ?
Al1 Al2 Al3 . . 3_555 53.08(7) ?
Al1 Al2 Al3 . . 4_566 165.57(13) ?
Al1 Al2 Al4 . . . 60.35(8) ?
Al1 Al2 Al1 11_555 . 6_555 80.57(7) ?
Al1 Al2 Al1 11_555 . 16_555 54.00(6) ?
Al1 Al2 Al2 11_555 . 3_555 140.24(10) ?
Al1 Al2 Al3 11_555 . . 92.27(6) ?
Al1 Al2 Al3 11_555 . 2_564 113.79(11) ?
Al1 Al2 Al3 11_555 . 3_555 146.28(9) ?
Al1 Al2 Al3 11_555 . 4_566 78.21(7) ?
Al1 Al2 Al4 11_555 . . 140.92(9) ?
Al1 Al2 Al1 6_555 . 16_555 113.34(10) ?
Al1 Al2 Al2 6_555 . 3_555 106.27(11) ?
Al1 Al2 Al3 6_555 . . 53.08(7) ?
Al1 Al2 Al3 6_555 . 2_564 165.57(13) ?
Al1 Al2 Al3 6_555 . 3_555 118.38(13) ?
Al1 Al2 Al3 6_555 . 4_566 98.20(9) ?
Al1 Al2 Al4 6_555 . . 60.35(8) ?
Al1 Al2 Al2 16_555 . 3_555 140.24(10) ?
Al1 Al2 Al3 16_555 . . 146.28(9) ?
Al1 Al2 Al3 16_555 . 2_564 78.21(7) ?
Al1 Al2 Al3 16_555 . 3_555 92.27(6) ?
Al1 Al2 Al3 16_555 . 4_566 113.79(11) ?
Al1 Al2 Al4 16_555 . . 140.92(9) ?
Al2 Al2 Al3 3_555 . . 65.01(6) ?
Al2 Al2 Al3 3_555 . 2_564 62.11(8) ?
Al2 Al2 Al3 3_555 . 3_555 65.01(6) ?
Al2 Al2 Al3 3_555 . 4_566 62.11(8) ?
Al2 Al2 Al4 3_555 . . 59.78(10) ?
Al3 Al2 Al3 . . 2_564 121.89(11) ?
Al3 Al2 Al3 . . 3_555 121.45(11) ?
Al3 Al2 Al3 . . 4_566 50.25(10) ?
Al3 Al2 Al4 . . . 64.83(8) ?
Al3 Al2 Al3 2_564 . 3_555 50.25(10) ?
Al3 Al2 Al3 2_564 . 4_566 84.04(12) ?
Al3 Al2 Al4 2_564 . . 105.27(10) ?
Al3 Al2 Al3 3_555 . 4_566 121.89(11) ?
Al3 Al2 Al4 3_555 . . 64.83(8) ?
Al3 Al2 Al4 4_566 . . 105.27(10) ?
Ca Al3 Ca 10_555 . 12_456 83.34(10) ?
Ca Al3 Ir1 10_555 . 10_555 74.41(5) ?
Ca Al3 Ir1 10_555 . 14_455 150.84(14) ?
Ca Al3 Ir2 10_555 . 2_555 72.87(8) ?
Ca Al3 Al1 10_555 . 3_555 126.13(14) ?
Ca Al3 Al1 10_555 . 6_555 62.60(7) ?
Ca Al3 Al2 10_555 . . 111.46(6) ?
Ca Al3 Al2 10_555 . 2_565 97.23(12) ?
Ca Al3 Al2 10_555 . 3_555 158.08(11) ?
Ca Al3 Al2 10_555 . 4_566 60.26(9) ?
Ca Al3 Al3 10_555 . 3_556 51.18(6) ?
Ca Al3 Al3 10_555 . 4_566 126.16(10) ?
Ca Al3 Al4 10_555 . . 110.71(10) ?
Ca Al3 Ir1 12_456 . 10_555 150.84(14) ?
Ca Al3 Ir1 12_456 . 14_455 74.41(5) ?
Ca Al3 Ir2 12_456 . 2_555 72.87(8) ?
Ca Al3 Al1 12_456 . 3_555 62.60(7) ?
Ca Al3 Al1 12_456 . 6_555 126.13(14) ?
Ca Al3 Al2 12_456 . . 158.08(11) ?
Ca Al3 Al2 12_456 . 2_565 60.26(9) ?
Ca Al3 Al2 12_456 . 3_555 111.46(6) ?
Ca Al3 Al2 12_456 . 4_566 97.23(12) ?
Ca Al3 Al3 12_456 . 3_556 51.18(6) ?
Ca Al3 Al3 12_456 . 4_566 126.16(10) ?
Ca Al3 Al4 12_456 . . 110.71(10) ?
Ir1 Al3 Ir1 10_555 . 14_455 118.36(14) ?
Ir1 Al3 Ir2 10_555 . 2_555 116.64(8) ?
Ir1 Al3 Al1 10_555 . 3_555 146.50(16) ?
Ir1 Al3 Al1 10_555 . 6_555 58.52(5) ?
Ir1 Al3 Al2 10_555 . . 51.02(7) ?
Ir1 Al3 Al2 10_555 . 2_565 103.61(13) ?
Ir1 Al3 Al2 10_555 . 3_555 95.55(12) ?
Ir1 Al3 Al2 10_555 . 4_566 55.39(7) ?
Ir1 Al3 Al3 10_555 . 3_556 99.71(9) ?
Ir1 Al3 Al3 10_555 . 4_566 59.18(7) ?
Ir1 Al3 Al4 10_555 . . 94.88(10) ?
Ir1 Al3 Ir2 14_455 . 2_555 116.64(8) ?
Ir1 Al3 Al1 14_455 . 3_555 58.52(5) ?
Ir1 Al3 Al1 14_455 . 6_555 146.50(16) ?
Ir1 Al3 Al2 14_455 . . 95.55(12) ?
Ir1 Al3 Al2 14_455 . 2_565 55.39(7) ?
Ir1 Al3 Al2 14_455 . 3_555 51.02(7) ?
Ir1 Al3 Al2 14_455 . 4_566 103.61(13) ?
Ir1 Al3 Al3 14_455 . 3_556 99.71(9) ?
Ir1 Al3 Al3 14_455 . 4_566 59.18(7) ?
Ir1 Al3 Al4 14_455 . . 94.88(10) ?
Ir2 Al3 Al1 2_555 . 3_555 58.39(8) ?
Ir2 Al3 Al1 2_555 . 6_555 58.39(8) ?
Ir2 Al3 Al2 2_555 . . 95.47(12) ?
Ir2 Al3 Al2 2_555 . 2_565 132.99(13) ?
Ir2 Al3 Al2 2_555 . 3_555 95.47(12) ?
Ir2 Al3 Al2 2_555 . 4_566 132.99(13) ?
Ir2 Al3 Al3 2_555 . 3_556 99.72(12) ?
Ir2 Al3 Al3 2_555 . 4_566 151.06(18) ?
Ir2 Al3 Al4 2_555 . . 51.49(10) ?
Al1 Al3 Al1 3_555 . 6_555 104.29(14) ?
Al1 Al3 Al2 3_555 . . 95.50(12) ?
Al1 Al3 Al2 3_555 . 2_565 99.65(8) ?
Al1 Al3 Al2 3_555 . 3_555 55.16(9) ?
Al1 Al3 Al2 3_555 . 4_566 154.99(12) ?
Al1 Al3 Al3 3_555 . 3_556 113.77(10) ?
Al1 Al3 Al3 3_555 . 4_566 107.71(12) ?
Al1 Al3 Al4 3_555 . . 54.82(8) ?
Al1 Al3 Al2 6_555 . . 55.16(9) ?
Al1 Al3 Al2 6_555 . 2_565 154.99(12) ?
Al1 Al3 Al2 6_555 . 3_555 95.50(12) ?
Al1 Al3 Al2 6_555 . 4_566 99.65(8) ?
Al1 Al3 Al3 6_555 . 3_556 113.77(10) ?
Al1 Al3 Al3 6_555 . 4_566 107.71(12) ?
Al1 Al3 Al4 6_555 . . 54.82(8) ?
Al2 Al3 Al2 . . 2_565 129.75(14) ?
Al2 Al3 Al2 . . 3_555 49.99(9) ?
Al2 Al3 Al2 . . 4_566 104.13(10) ?
Al2 Al3 Al3 . . 3_556 150.72(8) ?
Al2 Al3 Al3 . . 4_566 58.69(11) ?
Al2 Al3 Al4 . . . 49.76(10) ?
Al2 Al3 Al2 2_565 . 3_555 104.13(10) ?
Al2 Al3 Al2 2_565 . 4_566 55.78(10) ?
Al2 Al3 Al3 2_565 . 3_556 47.98(8) ?
Al2 Al3 Al3 2_565 . 4_566 71.06(12) ?
Al2 Al3 Al4 2_565 . . 149.84(8) ?
Al2 Al3 Al2 3_555 . 4_566 129.75(14) ?
Al2 Al3 Al3 3_555 . 3_556 150.72(8) ?
Al2 Al3 Al3 3_555 . 4_566 58.69(11) ?
Al2 Al3 Al4 3_555 . . 49.76(10) ?
Al2 Al3 Al3 4_566 . 3_556 47.98(8) ?
Al2 Al3 Al3 4_566 . 4_566 71.06(12) ?
Al2 Al3 Al4 4_566 . . 149.84(8) ?
Al3 Al3 Al3 3_556 . 4_566 109.22(15) ?
Al3 Al3 Al4 3_556 . . 151.21(14) ?
Al3 Al3 Al4 4_566 . . 99.57(16) ?
Ca Al4 Ca 9_445 . 11_545 85.78(13) ?
Ca Al4 Ir2 9_445 . . 73.92(8) ?
Ca Al4 Ir2 9_445 . 2_555 73.92(8) ?
Ca Al4 Al1 9_445 . . 127.22(13) ?
Ca Al4 Al1 9_445 . 3_555 63.18(7) ?
Ca Al4 Al1 9_445 . 6_555 127.22(13) ?
Ca Al4 Al1 9_445 . 8_555 63.18(7) ?
Ca Al4 Al2 9_445 . . 167.33(13) ?
Ca Al4 Al2 9_445 . 3_555 106.89(7) ?
Ca Al4 Al3 9_445 . . 110.66(5) ?
Ca Al4 Al3 9_445 . 3_555 110.66(5) ?
Ca Al4 Ir2 11_545 . . 73.92(8) ?
Ca Al4 Ir2 11_545 . 2_555 73.92(8) ?
Ca Al4 Al1 11_545 . . 63.18(7) ?
Ca Al4 Al1 11_545 . 3_555 127.22(13) ?
Ca Al4 Al1 11_545 . 6_555 63.18(7) ?
Ca Al4 Al1 11_545 . 8_555 127.22(13) ?
Ca Al4 Al2 11_545 . . 106.89(7) ?
Ca Al4 Al2 11_545 . 3_555 167.33(13) ?
Ca Al4 Al3 11_545 . . 110.66(5) ?
Ca Al4 Al3 11_545 . 3_555 110.66(5) ?
Ir2 Al4 Ir2 . . 2_555 135.58(19) ?
Ir2 Al4 Al1 . . . 57.56(5) ?
Ir2 Al4 Al1 . . 3_555 128.00(7) ?
Ir2 Al4 Al1 . . 6_555 128.00(7) ?
Ir2 Al4 Al1 . . 8_555 57.56(5) ?
Ir2 Al4 Al2 . . . 109.07(7) ?
Ir2 Al4 Al2 . . 3_555 109.07(7) ?
Ir2 Al4 Al3 . . . 173.42(18) ?
Ir2 Al4 Al3 . . 3_555 51.00(7) ?
Ir2 Al4 Al1 2_555 . . 128.00(7) ?
Ir2 Al4 Al1 2_555 . 3_555 57.56(5) ?
Ir2 Al4 Al1 2_555 . 6_555 57.56(5) ?
Ir2 Al4 Al1 2_555 . 8_555 128.00(7) ?
Ir2 Al4 Al2 2_555 . . 109.07(7) ?
Ir2 Al4 Al2 2_555 . 3_555 109.07(7) ?
Ir2 Al4 Al3 2_555 . . 51.00(7) ?
Ir2 Al4 Al3 2_555 . 3_555 173.42(18) ?
Al1 Al4 Al1 . . 3_555 168.0(2) ?
Al1 Al4 Al1 . . 6_555 76.95(6) ?
Al1 Al4 Al1 . . 8_555 101.76(7) ?
Al1 Al4 Al2 . . . 61.25(8) ?
Al1 Al4 Al2 . . 3_555 107.45(14) ?
Al1 Al4 Al3 . . . 119.66(10) ?
Al1 Al4 Al3 . . 3_555 53.43(6) ?
Al1 Al4 Al1 3_555 . 6_555 101.76(7) ?
Al1 Al4 Al1 3_555 . 8_555 76.95(6) ?
Al1 Al4 Al2 3_555 . . 107.45(14) ?
Al1 Al4 Al2 3_555 . 3_555 61.25(8) ?
Al1 Al4 Al3 3_555 . . 53.43(6) ?
Al1 Al4 Al3 3_555 . 3_555 119.66(10) ?
Al1 Al4 Al1 6_555 . 8_555 168.0(2) ?
Al1 Al4 Al2 6_555 . . 61.25(8) ?
Al1 Al4 Al2 6_555 . 3_555 107.45(14) ?
Al1 Al4 Al3 6_555 . . 53.43(6) ?
Al1 Al4 Al3 6_555 . 3_555 119.66(10) ?
Al1 Al4 Al2 8_555 . . 107.45(14) ?
Al1 Al4 Al2 8_555 . 3_555 61.25(8) ?
Al1 Al4 Al3 8_555 . . 119.66(10) ?
Al1 Al4 Al3 8_555 . 3_555 53.43(6) ?
Al2 Al4 Al2 . . 3_555 60.44(13) ?
Al2 Al4 Al3 . . . 65.41(9) ?
Al2 Al4 Al3 . . 3_555 65.41(9) ?
Al2 Al4 Al3 3_555 . . 65.41(9) ?
Al2 Al4 Al3 3_555 . 3_555 65.41(9) ?
Al3 Al4 Al3 . . 3_555 122.43(17) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


