# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 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 1964592'
loop_
_audit_author_name
_audit_author_address
'Oliver Janka'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-11-08 deposited with the CCDC.	2020-02-03 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            'Al1 As3 Eu3'
_chemical_formula_weight         707.6
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

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

# 6. CRYSTAL DATA

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ycb'
_symmetry_Int_Tables_number      14

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y+1/2,z+1/2

_cell_length_a                   8.5726(4)
_cell_length_b                   7.6238(4)
_cell_length_c                   11.9877(6)
_cell_angle_alpha                90
_cell_angle_beta                 99.734(2)
_cell_angle_gamma                90
_cell_volume                     772.19

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    9985
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      32.01
_cell_measurement_temperature    240(2)
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    6.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1204

_exptl_absorpt_coefficient_mu    36.3
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.070
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            black
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.008
_exptl_absorpt_correction_T_max  0.082
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      240(2)
_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  'Bruker APEX-II CCD'
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       'Bruker CCD'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            11636
_diffrn_reflns_theta_min         2.41
_diffrn_reflns_theta_max         32.01
_diffrn_reflns_theta_full        32.01
_diffrn_measured_fraction_theta_max 1
_diffrn_measured_fraction_theta_full 1
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_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             2687
_reflns_number_gt                2342
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0216
_refine_ls_wR_factor_gt          0.0565
_refine_ls_R_factor_all          0.0275
_refine_ls_wR_factor_ref         0.0584
_refine_ls_goodness_of_fit_ref   1.30
_refine_ls_goodness_of_fit_gt    1.35
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         2687
_refine_ls_number_parameters     65
_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          0.0011
_refine_ls_shift/su_mean         0.0002
_refine_diff_density_max         1.79
_refine_diff_density_min         -1.33
_refine_ls_extinction_method     
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       165(16)
_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'
As 0.0499 2.0058 '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'

_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
Eu1 Eu 0.59774(3) 0.81435(3) 0.11803(2) Uani 0.01041(7) 4 1 d . . .
Eu2 Eu 0.09620(3) 0.23653(3) 0.08184(2) Uani 0.01070(7) 4 1 d . . .
Eu3 Eu 1.21839(3) 0.73838(3) 0.22286(2) Uani 0.01067(7) 4 1 d . . .
Al1 Al 0.68297(16) 0.41941(18) 0.03621(12) Uani 0.0090(4) 4 1 d . . .
As1 As 0.56251(6) 0.57580(6) -0.13767(4) Uani 0.00960(13) 4 1 d . . .
As2 As 0.89747(5) 0.57143(6) 0.15944(4) Uani 0.00950(12) 4 1 d . . .
As3 As 0.75109(5) 0.11145(6) 0.00905(4) Uani 0.00903(12) 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
Eu1 Eu2 . 3_665 3.8601(4) ?
Eu1 Eu3 . 1_455 3.7245(5) ?
Eu1 Eu3 . 2_755 3.9441(4) ?
Eu1 Al1 . . 3.2869(15) ?
Eu1 Al1 . 3_665 3.2987(14) ?
Eu1 As1 . . 3.5330(6) ?
Eu1 As1 . 3_665 3.3014(6) ?
Eu1 As1 . 4_565 3.1093(6) ?
Eu1 As2 . . 3.1380(6) ?
Eu1 As3 . 1_565 3.0242(6) ?
Eu1 As3 . 3_665 3.1691(6) ?
Eu2 Eu3 . 2_645 3.8588(4) ?
Eu2 Al1 . 1_455 3.7599(14) ?
Eu2 Al1 . 3_665 3.6569(15) ?
Eu2 As1 . 3_665 3.2238(6) ?
Eu2 As2 . 1_455 3.2898(6) ?
Eu2 As2 . 2_645 3.3391(6) ?
Eu2 As2 . 3_665 3.2504(6) ?
Eu2 As3 . 1_455 3.0904(6) ?
Eu2 As3 . 3_655 3.2282(6) ?
Eu3 Al1 . 2_755 3.1836(14) ?
Eu3 Al1 . 3_765 3.5630(15) ?
Eu3 As1 . 3_765 3.3100(6) ?
Eu3 As1 . 4_665 3.4405(6) ?
Eu3 As2 . . 3.0099(6) ?
Eu3 As2 . 2_755 3.1462(6) ?
Eu3 As3 . 2_755 3.3240(6) ?
Eu3 As3 . 3_765 3.0584(6) ?
Al1 Al1 . 3_665 3.3442(19) ?
Al1 As1 . . 2.4709(14) ?
Al1 As1 . 3_665 2.6028(16) ?
Al1 As2 . . 2.4471(14) ?
Al1 As3 . . 2.4543(15) ?
As1 As1 . 3_665 3.8178(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
Eu2 Eu1 Eu3 3_665 . 1_455 156.585(8) ?
Eu2 Eu1 Eu3 3_665 . 2_755 97.154(8) ?
Eu2 Eu1 Al1 3_665 . . 60.92(3) ?
Eu2 Eu1 Al1 3_665 . 3_665 96.07(3) ?
Eu2 Eu1 As1 3_665 . . 51.472(9) ?
Eu2 Eu1 As1 3_665 . 3_665 106.764(12) ?
Eu2 Eu1 As1 3_665 . 4_565 142.762(12) ?
Eu2 Eu1 As2 3_665 . . 54.167(11) ?
Eu2 Eu1 As3 3_665 . 1_565 54.296(11) ?
Eu2 Eu1 As3 3_665 . 3_665 113.873(12) ?
Eu3 Eu1 Eu3 1_455 . 2_755 105.346(8) ?
Eu3 Eu1 Al1 1_455 . . 102.07(3) ?
Eu3 Eu1 Al1 1_455 . 3_665 60.61(3) ?
Eu3 Eu1 As1 1_455 . . 105.143(11) ?
Eu3 Eu1 As1 1_455 . 3_665 55.822(10) ?
Eu3 Eu1 As1 1_455 . 4_565 59.650(10) ?
Eu3 Eu1 As2 1_455 . . 126.382(12) ?
Eu3 Eu1 As3 1_455 . 1_565 136.914(12) ?
Eu3 Eu1 As3 1_455 . 3_665 51.915(11) ?
Eu3 Eu1 Al1 2_755 . . 143.54(2) ?
Eu3 Eu1 Al1 2_755 . 3_665 155.22(3) ?
Eu3 Eu1 As1 2_755 . . 144.101(12) ?
Eu3 Eu1 As1 2_755 . 3_665 147.251(12) ?
Eu3 Eu1 As1 2_755 . 4_565 54.429(10) ?
Eu3 Eu1 As2 2_755 . . 99.070(11) ?
Eu3 Eu1 As3 2_755 . 1_565 55.089(11) ?
Eu3 Eu1 As3 2_755 . 3_665 110.710(11) ?
Al1 Eu1 Al1 . . 3_665 61.04(3) ?
Al1 Eu1 As1 . . . 42.29(2) ?
Al1 Eu1 As1 . . 3_665 46.54(3) ?
Al1 Eu1 As1 . . 4_565 126.13(3) ?
Al1 Eu1 As2 . . . 44.70(2) ?
Al1 Eu1 As3 . . 1_565 114.98(3) ?
Al1 Eu1 As3 . . 3_665 105.03(3) ?
Al1 Eu1 As1 3_665 . . 44.63(3) ?
Al1 Eu1 As1 3_665 . 3_665 43.97(3) ?
Al1 Eu1 As1 3_665 . 4_565 119.71(3) ?
Al1 Eu1 As2 3_665 . . 105.67(3) ?
Al1 Eu1 As3 3_665 . 1_565 119.45(3) ?
Al1 Eu1 As3 3_665 . 3_665 44.55(3) ?
As1 Eu1 As1 . . 3_665 67.823(13) ?
As1 Eu1 As1 . . 4_565 161.471(15) ?
As1 Eu1 As2 . . . 77.352(13) ?
As1 Eu1 As3 . . 1_565 89.448(14) ?
As1 Eu1 As3 . . 3_665 74.900(13) ?
As1 Eu1 As1 3_665 . 4_565 93.878(14) ?
As1 Eu1 As2 3_665 . . 78.257(13) ?
As1 Eu1 As3 3_665 . 1_565 157.235(15) ?
As1 Eu1 As3 3_665 . 3_665 79.915(13) ?
As1 Eu1 As2 4_565 . . 102.552(14) ?
As1 Eu1 As3 4_565 . 1_565 108.886(15) ?
As1 Eu1 As3 4_565 . 3_665 99.826(14) ?
As2 Eu1 As3 . . 1_565 96.098(14) ?
As2 Eu1 As3 . . 3_665 149.572(15) ?
As3 Eu1 As3 1_565 . 3_665 95.878(14) ?
Eu1 Eu2 Eu3 3_665 . 2_645 174.311(9) ?
Eu1 Eu2 Al1 3_665 . 1_455 132.03(2) ?
Eu1 Eu2 Al1 3_665 . 3_665 51.77(2) ?
Eu1 Eu2 As1 3_665 . 3_665 59.019(11) ?
Eu1 Eu2 As2 3_665 . 1_455 133.814(12) ?
Eu1 Eu2 As2 3_665 . 2_645 129.246(11) ?
Eu1 Eu2 As2 3_665 . 3_665 51.507(10) ?
Eu1 Eu2 As3 3_665 . 1_455 120.827(12) ?
Eu1 Eu2 As3 3_665 . 3_655 49.531(10) ?
Eu3 Eu2 Al1 2_645 . 1_455 49.38(2) ?
Eu3 Eu2 Al1 2_645 . 3_665 133.85(2) ?
Eu3 Eu2 As1 2_645 . 3_665 125.117(12) ?
Eu3 Eu2 As2 2_645 . 1_455 51.474(10) ?
Eu3 Eu2 As2 2_645 . 2_645 48.781(10) ?
Eu3 Eu2 As2 2_645 . 3_665 131.055(11) ?
Eu3 Eu2 As3 2_645 . 1_455 55.842(11) ?
Eu3 Eu2 As3 2_645 . 3_655 124.937(12) ?
Al1 Eu2 Al1 1_455 . 3_665 102.38(3) ?
Al1 Eu2 As1 1_455 . 3_665 131.71(2) ?
Al1 Eu2 As2 1_455 . 1_455 39.93(2) ?
Al1 Eu2 As2 1_455 . 2_645 98.15(2) ?
Al1 Eu2 As2 1_455 . 3_665 81.99(2) ?
Al1 Eu2 As3 1_455 . 1_455 40.53(2) ?
Al1 Eu2 As3 1_455 . 3_655 132.96(2) ?
Al1 Eu2 As1 3_665 . 3_665 41.49(2) ?
Al1 Eu2 As2 3_665 . 1_455 83.08(3) ?
Al1 Eu2 As2 3_665 . 2_645 134.56(2) ?
Al1 Eu2 As2 3_665 . 3_665 40.97(2) ?
Al1 Eu2 As3 3_665 . 1_455 130.21(2) ?
Al1 Eu2 As3 3_665 . 3_655 101.12(3) ?
As1 Eu2 As2 3_665 . 1_455 95.280(14) ?
As1 Eu2 As2 3_665 . 2_645 95.900(13) ?
As1 Eu2 As2 3_665 . 3_665 80.431(13) ?
As1 Eu2 As3 3_665 . 1_455 170.914(15) ?
As1 Eu2 As3 3_665 . 3_655 91.675(14) ?
As2 Eu2 As2 1_455 . 2_645 87.579(13) ?
As2 Eu2 As2 1_455 . 3_665 89.392(14) ?
As2 Eu2 As3 1_455 . 1_455 78.611(13) ?
As2 Eu2 As3 1_455 . 3_655 172.834(13) ?
As2 Eu2 As2 2_645 . 3_665 175.013(14) ?
As2 Eu2 As3 2_645 . 1_455 90.594(14) ?
As2 Eu2 As3 2_645 . 3_655 93.434(13) ?
As2 Eu2 As3 3_665 . 1_455 92.691(13) ?
As2 Eu2 As3 3_665 . 3_655 90.063(14) ?
As3 Eu2 As3 1_455 . 3_655 94.278(14) ?
Eu1 Eu3 Eu1 1_655 . 2_745 89.443(8) ?
Eu1 Eu3 Eu2 1_655 . 2_655 160.900(8) ?
Eu1 Eu3 Al1 1_655 . 2_755 97.21(3) ?
Eu1 Eu3 Al1 1_655 . 3_765 53.77(2) ?
Eu1 Eu3 As1 1_655 . 3_765 55.604(10) ?
Eu1 Eu3 As1 1_655 . 4_665 51.251(10) ?
Eu1 Eu3 As2 1_655 . . 142.512(13) ?
Eu1 Eu3 As2 1_655 . 2_755 112.685(12) ?
Eu1 Eu3 As3 1_655 . 2_755 116.167(11) ?
Eu1 Eu3 As3 1_655 . 3_765 54.645(10) ?
Eu1 Eu3 Eu2 2_745 . 2_655 88.094(7) ?
Eu1 Eu3 Al1 2_745 . 2_755 83.88(3) ?
Eu1 Eu3 Al1 2_745 . 3_765 90.60(2) ?
Eu1 Eu3 As1 2_745 . 3_765 49.824(10) ?
Eu1 Eu3 As1 2_745 . 4_665 82.112(10) ?
Eu1 Eu3 As2 2_745 . . 92.811(11) ?
Eu1 Eu3 As2 2_745 . 2_755 125.117(12) ?
Eu1 Eu3 As3 2_745 . 2_755 48.252(10) ?
Eu1 Eu3 As3 2_745 . 3_765 131.133(12) ?
Eu2 Eu3 Al1 2_655 . 2_755 63.69(3) ?
Eu2 Eu3 Al1 2_655 . 3_765 145.17(2) ?
Eu2 Eu3 As1 2_655 . 3_765 132.515(12) ?
Eu2 Eu3 As1 2_655 . 4_665 109.661(12) ?
Eu2 Eu3 As2 2_655 . . 56.562(11) ?
Eu2 Eu3 As2 2_655 . 2_755 54.887(11) ?
Eu2 Eu3 As3 2_655 . 2_755 50.293(10) ?
Eu2 Eu3 As3 2_655 . 3_765 136.790(12) ?
Al1 Eu3 Al1 2_755 . 3_765 150.61(4) ?
Al1 Eu3 As1 2_755 . 3_765 121.07(3) ?
Al1 Eu3 As1 2_755 . 4_665 46.07(3) ?
Al1 Eu3 As2 2_755 . . 120.24(3) ?
Al1 Eu3 As2 2_755 . 2_755 45.48(3) ?
Al1 Eu3 As3 2_755 . 2_755 44.25(3) ?
Al1 Eu3 As3 2_755 . 3_765 127.73(3) ?
Al1 Eu3 As1 3_765 . 3_765 41.94(2) ?
Al1 Eu3 As1 3_765 . 4_665 104.61(2) ?
Al1 Eu3 As2 3_765 . . 88.77(2) ?
Al1 Eu3 As2 3_765 . 2_755 143.40(2) ?
Al1 Eu3 As3 3_765 . 2_755 138.85(2) ?
Al1 Eu3 As3 3_765 . 3_765 42.67(2) ?
As1 Eu3 As1 3_765 . 4_665 87.893(13) ?
As1 Eu3 As2 3_765 . . 99.102(14) ?
As1 Eu3 As2 3_765 . 2_755 163.945(14) ?
As1 Eu3 As3 3_765 . 2_755 97.562(13) ?
As1 Eu3 As3 3_765 . 3_765 81.389(14) ?
As1 Eu3 As2 4_665 . . 165.666(16) ?
As1 Eu3 As2 4_665 . 2_755 76.085(13) ?
As1 Eu3 As3 4_665 . 2_755 74.287(13) ?
As1 Eu3 As3 4_665 . 3_765 95.135(14) ?
As2 Eu3 As2 . . 2_755 96.324(15) ?
As2 Eu3 As3 . . 2_755 92.307(14) ?
As2 Eu3 As3 . . 3_765 98.262(14) ?
As2 Eu3 As3 2_755 . 2_755 77.323(13) ?
As2 Eu3 As3 2_755 . 3_765 100.810(14) ?
As3 Eu3 As3 2_755 . 3_765 169.416(14) ?
Eu1 Al1 Eu1 . . 3_665 118.96(4) ?
Eu1 Al1 Eu2 . . 1_655 123.21(4) ?
Eu1 Al1 Eu2 . . 3_665 67.30(3) ?
Eu1 Al1 Eu3 . . 2_745 99.48(4) ?
Eu1 Al1 Eu3 . . 3_765 131.82(4) ?
Eu1 Al1 Al1 . . 3_665 59.66(3) ?
Eu1 Al1 As1 . . . 74.18(4) ?
Eu1 Al1 As1 . . 3_665 67.02(3) ?
Eu1 Al1 As2 . . . 64.42(3) ?
Eu1 Al1 As3 . . . 170.32(6) ?
Eu1 Al1 Eu2 3_665 . 1_655 117.47(4) ?
Eu1 Al1 Eu2 3_665 . 3_665 123.16(4) ?
Eu1 Al1 Eu3 3_665 . 2_745 109.33(4) ?
Eu1 Al1 Eu3 3_665 . 3_765 65.62(3) ?
Eu1 Al1 Al1 3_665 . 3_665 59.31(3) ?
Eu1 Al1 As1 3_665 . . 68.07(3) ?
Eu1 Al1 As1 3_665 . 3_665 72.46(3) ?
Eu1 Al1 As2 3_665 . . 175.39(6) ?
Eu1 Al1 As3 3_665 . . 64.93(3) ?
Eu2 Al1 Eu2 1_655 . 3_665 77.62(3) ?
Eu2 Al1 Eu3 1_655 . 2_745 66.93(3) ?
Eu2 Al1 Eu3 1_655 . 3_765 69.21(3) ?
Eu2 Al1 Al1 1_655 . 3_665 173.41(5) ?
Eu2 Al1 As1 1_655 . . 123.42(5) ?
Eu2 Al1 As1 1_655 . 3_665 138.90(5) ?
Eu2 Al1 As2 1_655 . . 59.63(3) ?
Eu2 Al1 As3 1_655 . . 54.91(3) ?
Eu2 Al1 Eu3 3_665 . 2_745 125.91(4) ?
Eu2 Al1 Eu3 3_665 . 3_765 71.95(3) ?
Eu2 Al1 Al1 3_665 . 3_665 99.22(4) ?
Eu2 Al1 As1 3_665 . . 59.82(3) ?
Eu2 Al1 As1 3_665 . 3_665 133.09(5) ?
Eu2 Al1 As2 3_665 . . 60.56(3) ?
Eu2 Al1 As3 3_665 . . 118.98(5) ?
Eu3 Al1 Eu3 2_745 . 3_765 125.35(4) ?
Eu3 Al1 Al1 2_745 . 3_665 119.24(5) ?
Eu3 Al1 As1 2_745 . . 169.59(6) ?
Eu3 Al1 As1 2_745 . 3_665 72.17(4) ?
Eu3 Al1 As2 2_745 . . 66.45(3) ?
Eu3 Al1 As3 2_745 . . 70.91(4) ?
Eu3 Al1 Al1 3_765 . 3_665 104.37(4) ?
Eu3 Al1 As1 3_765 . . 63.54(3) ?
Eu3 Al1 As1 3_765 . 3_665 137.89(5) ?
Eu3 Al1 As2 3_765 . . 114.91(5) ?
Eu3 Al1 As3 3_765 . . 57.62(3) ?
Al1 Al1 As1 3_665 . . 50.49(4) ?
Al1 Al1 As1 3_665 . 3_665 47.09(4) ?
Al1 Al1 As2 3_665 . . 123.98(6) ?
Al1 Al1 As3 3_665 . . 123.43(5) ?
As1 Al1 As1 . . 3_665 97.58(5) ?
As1 Al1 As2 . . . 116.42(6) ?
As1 Al1 As3 . . . 115.12(6) ?
As1 Al1 As2 3_665 . . 107.20(6) ?
As1 Al1 As3 3_665 . . 107.74(5) ?
As2 Al1 As3 . . . 111.21(5) ?
Eu1 As1 Eu1 . . 3_665 112.177(16) ?
Eu1 As1 Eu1 . . 4_564 132.134(16) ?
Eu1 As1 Eu2 . . 3_665 69.509(11) ?
Eu1 As1 Eu3 . . 3_765 132.100(15) ?
Eu1 As1 Eu3 . . 4_464 98.637(14) ?
Eu1 As1 Al1 . . . 63.53(3) ?
Eu1 As1 Al1 . . 3_665 62.91(3) ?
Eu1 As1 As1 . . 3_665 53.203(11) ?
Eu1 As1 Eu1 3_665 . 4_564 114.689(15) ?
Eu1 As1 Eu2 3_665 . 3_665 139.379(16) ?
Eu1 As1 Eu3 3_665 . 3_765 68.574(12) ?
Eu1 As1 Eu3 3_665 . 4_464 94.169(13) ?
Eu1 As1 Al1 3_665 . . 67.96(3) ?
Eu1 As1 Al1 3_665 . 3_665 66.44(3) ?
Eu1 As1 As1 3_665 . 3_665 58.974(12) ?
Eu1 As1 Eu2 4_564 . 3_665 81.185(14) ?
Eu1 As1 Eu3 4_564 . 3_765 75.747(13) ?
Eu1 As1 Eu3 4_564 . 4_464 69.099(11) ?
Eu1 As1 Al1 4_564 . . 146.23(4) ?
Eu1 As1 Al1 4_564 . 3_665 130.64(3) ?
Eu1 As1 As1 4_564 . 3_665 169.114(17) ?
Eu2 As1 Eu3 3_665 . 3_765 80.957(13) ?
Eu2 As1 Eu3 3_665 . 4_464 126.274(16) ?
Eu2 As1 Al1 3_665 . . 78.69(3) ?
Eu2 As1 Al1 3_665 . 3_665 132.36(3) ?
Eu2 As1 As1 3_665 . 3_665 109.415(15) ?
Eu3 As1 Eu3 3_765 . 4_464 129.249(16) ?
Eu3 As1 Al1 3_765 . . 74.52(4) ?
Eu3 As1 Al1 3_765 . 3_665 134.43(4) ?
Eu3 As1 As1 3_765 . 3_665 107.730(15) ?
Eu3 As1 Al1 4_464 . . 144.13(4) ?
Eu3 As1 Al1 4_464 . 3_665 61.75(3) ?
Eu3 As1 As1 4_464 . 3_665 101.644(15) ?
Al1 As1 Al1 . . 3_665 82.42(5) ?
Al1 As1 As1 . . 3_665 42.52(4) ?
Al1 As1 As1 3_665 . 3_665 39.91(3) ?
Eu1 As2 Eu2 . . 1_655 149.615(16) ?
Eu1 As2 Eu2 . . 2_655 78.973(13) ?
Eu1 As2 Eu2 . . 3_665 74.326(12) ?
Eu1 As2 Eu3 . . . 118.648(16) ?
Eu1 As2 Eu3 . . 2_745 103.596(16) ?
Eu1 As2 Al1 . . . 70.88(4) ?
Eu2 As2 Eu2 1_655 . 2_655 128.854(15) ?
Eu2 As2 Eu2 1_655 . 3_665 90.608(14) ?
Eu2 As2 Eu3 1_655 . . 84.531(14) ?
Eu2 As2 Eu3 1_655 . 2_745 73.638(12) ?
Eu2 As2 Al1 1_655 . . 80.44(4) ?
Eu2 As2 Eu2 2_655 . 3_665 131.045(16) ?
Eu2 As2 Eu3 2_655 . . 74.656(12) ?
Eu2 As2 Eu3 2_655 . 2_745 81.050(13) ?
Eu2 As2 Al1 2_655 . . 129.18(4) ?
Eu2 As2 Eu3 3_665 . . 83.237(14) ?
Eu2 As2 Eu3 3_665 . 2_745 144.747(16) ?
Eu2 As2 Al1 3_665 . . 78.47(4) ?
Eu3 As2 Eu3 . . 2_745 124.916(16) ?
Eu3 As2 Al1 . . . 156.10(4) ?
Eu3 As2 Al1 2_745 . . 68.07(4) ?
Eu1 As3 Eu1 1_545 . 3_665 84.122(13) ?
Eu1 As3 Eu2 1_545 . 1_655 125.061(16) ?
Eu1 As3 Eu2 1_545 . 3_655 76.173(13) ?
Eu1 As3 Eu3 1_545 . 2_745 76.659(13) ?
Eu1 As3 Eu3 1_545 . 3_765 141.561(17) ?
Eu1 As3 Al1 1_545 . . 121.91(4) ?
Eu1 As3 Eu2 3_665 . 1_655 149.446(18) ?
Eu1 As3 Eu2 3_665 . 3_655 112.830(15) ?
Eu1 As3 Eu3 3_665 . 2_745 109.052(16) ?
Eu1 As3 Eu3 3_665 . 3_765 73.440(12) ?
Eu1 As3 Al1 3_665 . . 70.53(3) ?
Eu2 As3 Eu2 1_655 . 3_655 85.722(13) ?
Eu2 As3 Eu3 1_655 . 2_745 73.865(12) ?
Eu2 As3 Eu3 1_655 . 3_765 85.194(14) ?
Eu2 As3 Al1 1_655 . . 84.56(3) ?
Eu2 As3 Eu3 3_655 . 2_745 126.545(15) ?
Eu2 As3 Eu3 3_655 . 3_765 84.201(14) ?
Eu2 As3 Al1 3_655 . . 161.82(4) ?
Eu3 As3 Eu3 2_745 . 3_765 139.909(17) ?
Eu3 As3 Al1 2_745 . . 64.84(3) ?
Eu3 As3 Al1 3_765 . . 79.71(4) ?

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
? ? ? ? ? ? ? ? ? ? ?


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

# 11. STRUCTURE-FACTOR LIST



####################################################################### 
# 
# 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 1964593'
loop_
_audit_author_name
_audit_author_address
'Oliver Janka'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-11-08 deposited with the CCDC.	2020-02-03 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            'As6 Eu5 In2'
_chemical_formula_weight         1439
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

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

# 6. CRYSTAL DATA

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b a m'
_symmetry_space_group_name_Hall  '-P -2xab;-2yab;-2z'
_symmetry_Int_Tables_number      55

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x+1/2,y+1/2,-z
4 x+1/2,-y+1/2,-z
5 -x,-y,-z
6 x,y,-z
7 x+1/2,-y+1/2,z
8 -x+1/2,y+1/2,z

_cell_length_a                   11.8853(8)
_cell_length_b                   13.7977(9)
_cell_length_c                   4.3529(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     713.83

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    5176
_cell_measurement_theta_min      4.69
_cell_measurement_theta_max      33.70
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    6.69
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1222

_exptl_absorpt_coefficient_mu    38.5
_exptl_crystal_description       block
_exptl_crystal_size_max          0.045
_exptl_crystal_size_mid          0.035
_exptl_crystal_size_min          0.015
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            black
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.2951
_exptl_absorpt_correction_T_max  0.7461
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            8264
_diffrn_reflns_theta_min         2.95
_diffrn_reflns_theta_max         33.42
_diffrn_reflns_theta_full        30.04
_diffrn_measured_fraction_theta_max 0.97
_diffrn_measured_fraction_theta_full 0.98
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_limit_l_max       6
_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             1502
_reflns_number_gt                963
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0253
_refine_ls_wR_factor_gt          0.0442
_refine_ls_R_factor_all          0.0569
_refine_ls_wR_factor_ref         0.0512
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_goodness_of_fit_gt    1.17
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         1502
_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          0.0003
_refine_ls_shift/su_mean         0.0001
_refine_diff_density_max         2.98
_refine_diff_density_min         -2.51
_refine_ls_extinction_method     
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       86(15)
_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
As 0.0499 2.0058 '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'
In -0.7276 1.3100 '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
Eu1 Eu 0.32495(4) 0.01567(3) 0 Uani 0.01193(12) 4 1 d . . .
Eu2 Eu 0 0 0 Uani 0.01193(17) 2 1 d . . .
Eu3 Eu 0.08525(4) 0.25300(4) 0 Uani 0.01064(11) 4 1 d . . .
In In 0.32869(5) 0.21612(4) 0.5 Uani 0.01156(15) 4 1 d . . .
As1 As 0.33651(8) 0.32470(6) 0 Uani 0.0099(2) 4 1 d . . .
As2 As 0.15301(7) 0.09869(6) 0.5 Uani 0.0103(2) 4 1 d . . .
As3 As 0.02059(7) 0.41074(7) 0.5 Uani 0.0103(2) 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
Eu1 Eu2 . . 3.8682(7) ?
Eu1 Eu3 . 3_545 3.7781(8) ?
Eu1 In . 1_554 3.5197(7) ?
Eu1 In . . 3.5197(7) ?
Eu1 Sb1 . 3_545 3.2597(10) ?
Eu1 Sb2 . 1_554 3.1978(8) ?
Eu1 Sb2 . . 3.1978(8) ?
Eu1 Sb3 . 3_545 3.1942(7) ?
Eu1 Sb3 . 3_546 3.1942(7) ?
Eu1 Sb3 . 4_555 3.3428(8) ?
Eu1 Sb3 . 4_556 3.3428(8) ?
Eu2 Eu3 . . 3.6349(7) ?
Eu2 Eu3 . 2_555 3.6349(7) ?
Eu2 Sb1 . 3_545 3.1026(9) ?
Eu2 Sb1 . 4_455 3.1026(9) ?
Eu2 Sb2 . 1_554 3.1462(7) ?
Eu2 Sb2 . . 3.1462(7) ?
Eu2 Sb2 . 2_554 3.1462(7) ?
Eu2 Sb2 . 2_555 3.1462(7) ?
Eu3 In . 1_554 3.6561(7) ?
Eu3 In . . 3.6561(7) ?
Eu3 In . 4_455 3.7705(7) ?
Eu3 In . 4_456 3.7705(7) ?
Eu3 Sb1 . . 3.1458(11) ?
Eu3 Sb1 . 4_455 3.1448(11) ?
Eu3 Sb2 . 1_554 3.1493(8) ?
Eu3 Sb2 . . 3.1493(8) ?
Eu3 Sb3 . 1_554 3.1725(8) ?
Eu3 Sb3 . . 3.1725(8) ?
In Sb1 . . 2.6438(6) ?
In Sb1 . 1_556 2.6438(6) ?
In Sb2 . . 2.6429(11) ?
In Sb3 . 4_556 2.8751(11) ?
Sb3 Sb3 . 2_565 2.5113(13) ?

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
Eu2 Eu1 Eu3 . . 3_545 103.204(12) ?
Eu2 Eu1 In . . 1_554 93.239(13) ?
Eu2 Eu1 In . . . 93.239(13) ?
Eu2 Eu1 Sb1 . . 3_545 50.731(17) ?
Eu2 Eu1 Sb2 . . 1_554 51.825(15) ?
Eu2 Eu1 Sb2 . . . 51.825(15) ?
Eu2 Eu1 Sb3 . . 3_545 123.263(16) ?
Eu2 Eu1 Sb3 . . 3_546 123.263(16) ?
Eu2 Eu1 Sb3 . . 4_555 135.354(13) ?
Eu2 Eu1 Sb3 . . 4_556 135.354(13) ?
Eu3 Eu1 In 3_545 . 1_554 138.611(10) ?
Eu3 Eu1 In 3_545 . . 138.611(10) ?
Eu3 Eu1 Sb1 3_545 . 3_545 52.473(19) ?
Eu3 Eu1 Sb2 3_545 . 1_554 121.612(18) ?
Eu3 Eu1 Sb2 3_545 . . 121.612(18) ?
Eu3 Eu1 Sb3 3_545 . 3_545 53.335(16) ?
Eu3 Eu1 Sb3 3_545 . 3_546 53.335(16) ?
Eu3 Eu1 Sb3 3_545 . 4_555 95.445(19) ?
Eu3 Eu1 Sb3 3_545 . 4_556 95.445(19) ?
In Eu1 In 1_554 . . 76.393(14) ?
In Eu1 Sb1 1_554 . 3_545 129.987(15) ?
In Eu1 Sb2 1_554 . 1_554 46.028(19) ?
In Eu1 Sb2 1_554 . . 98.48(2) ?
In Eu1 Sb3 1_554 . 3_545 85.848(17) ?
In Eu1 Sb3 1_554 . 3_546 140.38(2) ?
In Eu1 Sb3 1_554 . 4_555 49.454(18) ?
In Eu1 Sb3 1_554 . 4_556 98.926(19) ?
In Eu1 Sb1 . . 3_545 129.987(15) ?
In Eu1 Sb2 . . 1_554 98.48(2) ?
In Eu1 Sb2 . . . 46.028(19) ?
In Eu1 Sb3 . . 3_545 140.38(2) ?
In Eu1 Sb3 . . 3_546 85.848(17) ?
In Eu1 Sb3 . . 4_555 98.926(19) ?
In Eu1 Sb3 . . 4_556 49.454(18) ?
Sb1 Eu1 Sb2 3_545 . 1_554 85.03(2) ?
Sb1 Eu1 Sb2 3_545 . . 85.03(2) ?
Sb1 Eu1 Sb3 3_545 . 3_545 88.39(2) ?
Sb1 Eu1 Sb3 3_545 . 3_546 88.39(2) ?
Sb1 Eu1 Sb3 3_545 . 4_555 130.921(17) ?
Sb1 Eu1 Sb3 3_545 . 4_556 130.921(17) ?
Sb2 Eu1 Sb2 1_554 . . 85.784(19) ?
Sb2 Eu1 Sb3 1_554 . 3_545 93.779(16) ?
Sb2 Eu1 Sb3 1_554 . 3_546 173.42(3) ?
Sb2 Eu1 Sb3 1_554 . 4_555 83.833(18) ?
Sb2 Eu1 Sb3 1_554 . 4_556 141.16(3) ?
Sb2 Eu1 Sb3 . . 3_545 173.42(3) ?
Sb2 Eu1 Sb3 . . 3_546 93.779(16) ?
Sb2 Eu1 Sb3 . . 4_555 141.16(3) ?
Sb2 Eu1 Sb3 . . 4_556 83.833(18) ?
Sb3 Eu1 Sb3 3_545 . 3_546 85.901(19) ?
Sb3 Eu1 Sb3 3_545 . 4_555 45.11(2) ?
Sb3 Eu1 Sb3 3_545 . 4_556 100.46(2) ?
Sb3 Eu1 Sb3 3_546 . 4_555 100.46(2) ?
Sb3 Eu1 Sb3 3_546 . 4_556 45.11(2) ?
Sb3 Eu1 Sb3 4_555 . 4_556 81.248(17) ?
Eu1 Eu2 Eu1 . . 2_555 180 ?
Eu1 Eu2 Eu3 . . . 70.610(10) ?
Eu1 Eu2 Eu3 . . 2_555 109.390(10) ?
Eu1 Eu2 Sb1 . . 3_545 54.427(18) ?
Eu1 Eu2 Sb1 . . 4_455 125.573(18) ?
Eu1 Eu2 Sb2 . . 1_554 53.036(14) ?
Eu1 Eu2 Sb2 . . . 53.036(14) ?
Eu1 Eu2 Sb2 . . 2_554 126.964(14) ?
Eu1 Eu2 Sb2 . . 2_555 126.964(14) ?
Eu1 Eu2 Eu3 2_555 . . 109.390(10) ?
Eu1 Eu2 Eu3 2_555 . 2_555 70.610(10) ?
Eu1 Eu2 Sb1 2_555 . 3_545 125.573(18) ?
Eu1 Eu2 Sb1 2_555 . 4_455 54.427(18) ?
Eu1 Eu2 Sb2 2_555 . 1_554 126.964(14) ?
Eu1 Eu2 Sb2 2_555 . . 126.964(14) ?
Eu1 Eu2 Sb2 2_555 . 2_554 53.036(14) ?
Eu1 Eu2 Sb2 2_555 . 2_555 53.036(14) ?
Eu3 Eu2 Eu3 . . 2_555 180 ?
Eu3 Eu2 Sb1 . . 3_545 125.037(18) ?
Eu3 Eu2 Sb1 . . 4_455 54.963(18) ?
Eu3 Eu2 Sb2 . . 1_554 54.774(14) ?
Eu3 Eu2 Sb2 . . . 54.774(14) ?
Eu3 Eu2 Sb2 . . 2_554 125.226(14) ?
Eu3 Eu2 Sb2 . . 2_555 125.226(14) ?
Eu3 Eu2 Sb1 2_555 . 3_545 54.963(18) ?
Eu3 Eu2 Sb1 2_555 . 4_455 125.037(18) ?
Eu3 Eu2 Sb2 2_555 . 1_554 125.226(14) ?
Eu3 Eu2 Sb2 2_555 . . 125.226(14) ?
Eu3 Eu2 Sb2 2_555 . 2_554 54.774(14) ?
Eu3 Eu2 Sb2 2_555 . 2_555 54.774(14) ?
Sb1 Eu2 Sb1 3_545 . 4_455 180 ?
Sb1 Eu2 Sb2 3_545 . 1_554 88.59(2) ?
Sb1 Eu2 Sb2 3_545 . . 88.59(2) ?
Sb1 Eu2 Sb2 3_545 . 2_554 91.41(2) ?
Sb1 Eu2 Sb2 3_545 . 2_555 91.41(2) ?
Sb1 Eu2 Sb2 4_455 . 1_554 91.41(2) ?
Sb1 Eu2 Sb2 4_455 . . 91.41(2) ?
Sb1 Eu2 Sb2 4_455 . 2_554 88.59(2) ?
Sb1 Eu2 Sb2 4_455 . 2_555 88.59(2) ?
Sb2 Eu2 Sb2 1_554 . . 87.542(16) ?
Sb2 Eu2 Sb2 1_554 . 2_554 92.458(16) ?
Sb2 Eu2 Sb2 1_554 . 2_555 180 ?
Sb2 Eu2 Sb2 . . 2_554 180 ?
Sb2 Eu2 Sb2 . . 2_555 92.458(16) ?
Sb2 Eu2 Sb2 2_554 . 2_555 87.542(16) ?
Eu1 Eu3 Eu2 3_555 . . 179.778(15) ?
Eu1 Eu3 In 3_555 . 1_554 84.834(14) ?
Eu1 Eu3 In 3_555 . . 84.834(14) ?
Eu1 Eu3 In 3_555 . 4_455 96.896(15) ?
Eu1 Eu3 In 3_555 . 4_456 96.896(15) ?
Eu1 Eu3 Sb1 3_555 . . 55.263(18) ?
Eu1 Eu3 Sb1 3_555 . 4_455 126.34(2) ?
Eu1 Eu3 Sb2 3_555 . 1_554 125.189(17) ?
Eu1 Eu3 Sb2 3_555 . . 125.189(17) ?
Eu1 Eu3 Sb3 3_555 . 1_554 53.866(16) ?
Eu1 Eu3 Sb3 3_555 . . 53.866(16) ?
Eu2 Eu3 In . . 1_554 94.988(14) ?
Eu2 Eu3 In . . . 94.988(14) ?
Eu2 Eu3 In . . 4_455 83.285(13) ?
Eu2 Eu3 In . . 4_456 83.285(13) ?
Eu2 Eu3 Sb1 . . . 124.51(2) ?
Eu2 Eu3 Sb1 . . 4_455 53.882(17) ?
Eu2 Eu3 Sb2 . . 1_554 54.693(16) ?
Eu2 Eu3 Sb2 . . . 54.693(16) ?
Eu2 Eu3 Sb3 . . 1_554 126.251(17) ?
Eu2 Eu3 Sb3 . . . 126.251(17) ?
In Eu3 In 1_554 . . 73.067(13) ?
In Eu3 In 1_554 . 4_455 108.186(9) ?
In Eu3 In 1_554 . 4_456 177.923(17) ?
In Eu3 Sb1 1_554 . . 44.972(13) ?
In Eu3 Sb1 1_554 . 4_455 134.148(15) ?
In Eu3 Sb2 1_554 . 1_554 44.941(19) ?
In Eu3 Sb2 1_554 . . 96.60(2) ?
In Eu3 Sb3 1_554 . 1_554 83.038(16) ?
In Eu3 Sb3 1_554 . . 134.07(2) ?
In Eu3 In . . 4_455 177.923(17) ?
In Eu3 In . . 4_456 108.186(9) ?
In Eu3 Sb1 . . . 44.972(13) ?
In Eu3 Sb1 . . 4_455 134.148(15) ?
In Eu3 Sb2 . . 1_554 96.60(2) ?
In Eu3 Sb2 . . . 44.941(19) ?
In Eu3 Sb3 . . 1_554 134.07(2) ?
In Eu3 Sb3 . . . 83.038(16) ?
In Eu3 In 4_455 . 4_456 70.511(12) ?
In Eu3 Sb1 4_455 . . 137.069(15) ?
In Eu3 Sb1 4_455 . 4_455 43.799(12) ?
In Eu3 Sb2 4_455 . 1_554 83.354(17) ?
In Eu3 Sb2 4_455 . . 133.01(2) ?
In Eu3 Sb3 4_455 . 1_554 47.976(18) ?
In Eu3 Sb3 4_455 . . 97.040(19) ?
In Eu3 Sb1 4_456 . . 137.069(15) ?
In Eu3 Sb1 4_456 . 4_455 43.799(12) ?
In Eu3 Sb2 4_456 . 1_554 133.01(2) ?
In Eu3 Sb2 4_456 . . 83.354(17) ?
In Eu3 Sb3 4_456 . 1_554 97.040(19) ?
In Eu3 Sb3 4_456 . . 47.976(18) ?
Sb1 Eu3 Sb1 . . 4_455 178.40(3) ?
Sb1 Eu3 Sb2 . . 1_554 88.27(2) ?
Sb1 Eu3 Sb2 . . . 88.27(2) ?
Sb1 Eu3 Sb3 . . 1_554 90.82(2) ?
Sb1 Eu3 Sb3 . . . 90.82(2) ?
Sb1 Eu3 Sb2 4_455 . 1_554 90.57(2) ?
Sb1 Eu3 Sb2 4_455 . . 90.57(2) ?
Sb1 Eu3 Sb3 4_455 . 1_554 90.35(2) ?
Sb1 Eu3 Sb3 4_455 . . 90.35(2) ?
Sb2 Eu3 Sb2 1_554 . . 87.43(2) ?
Sb2 Eu3 Sb3 1_554 . 1_554 92.959(16) ?
Sb2 Eu3 Sb3 1_554 . . 179.00(3) ?
Sb2 Eu3 Sb3 . . 1_554 179.00(3) ?
Sb2 Eu3 Sb3 . . . 92.959(16) ?
Sb3 Eu3 Sb3 1_554 . . 86.64(2) ?
Eu1 In Eu1 . . 1_556 76.393(15) ?
Eu1 In Eu3 . . . 74.412(12) ?
Eu1 In Eu3 . . 1_556 117.871(19) ?
Eu1 In Eu3 . . 4_555 75.051(12) ?
Eu1 In Eu3 . . 4_556 117.123(19) ?
Eu1 In Sb1 . . . 86.368(17) ?
Eu1 In Sb1 . . 1_556 162.70(2) ?
Eu1 In Sb2 . . . 60.548(18) ?
Eu1 In Sb3 . . 4_556 62.068(17) ?
Eu1 In Eu3 1_556 . . 117.871(19) ?
Eu1 In Eu3 1_556 . 1_556 74.412(12) ?
Eu1 In Eu3 1_556 . 4_555 117.123(19) ?
Eu1 In Eu3 1_556 . 4_556 75.051(12) ?
Eu1 In Sb1 1_556 . . 162.70(2) ?
Eu1 In Sb1 1_556 . 1_556 86.368(17) ?
Eu1 In Sb2 1_556 . . 60.548(18) ?
Eu1 In Sb3 1_556 . 4_556 62.068(17) ?
Eu3 In Eu3 . . 1_556 73.067(14) ?
Eu3 In Eu3 . . 4_555 106.299(8) ?
Eu3 In Eu3 . . 4_556 165.44(2) ?
Eu3 In Sb1 . . . 57.24(2) ?
Eu3 In Sb1 . . 1_556 116.04(3) ?
Eu3 In Sb2 . . . 57.324(18) ?
Eu3 In Sb3 . . 4_556 135.440(17) ?
Eu3 In Eu3 1_556 . 4_555 165.44(2) ?
Eu3 In Eu3 1_556 . 4_556 106.299(8) ?
Eu3 In Sb1 1_556 . . 116.04(3) ?
Eu3 In Sb1 1_556 . 1_556 57.24(2) ?
Eu3 In Sb2 1_556 . . 57.324(18) ?
Eu3 In Sb3 1_556 . 4_556 135.440(17) ?
Eu3 In Eu3 4_555 . 4_556 70.511(13) ?
Eu3 In Sb1 4_555 . . 55.41(2) ?
Eu3 In Sb1 4_555 . 1_556 112.50(3) ?
Eu3 In Sb2 4_555 . . 135.088(18) ?
Eu3 In Sb3 4_555 . 4_556 55.056(17) ?
Eu3 In Sb1 4_556 . . 112.50(3) ?
Eu3 In Sb1 4_556 . 1_556 55.41(2) ?
Eu3 In Sb2 4_556 . . 135.088(18) ?
Eu3 In Sb3 4_556 . 4_556 55.056(17) ?
Sb1 In Sb1 . . 1_556 110.82(3) ?
Sb1 In Sb2 . . . 112.03(3) ?
Sb1 In Sb3 . . 4_556 108.49(3) ?
Sb1 In Sb2 1_556 . . 112.03(3) ?
Sb1 In Sb3 1_556 . 4_556 108.49(3) ?
Sb2 In Sb3 . . 4_556 104.68(3) ?
Eu1 Sb1 Eu2 3_555 . 3_555 74.84(2) ?
Eu1 Sb1 Eu3 3_555 . . 72.26(2) ?
Eu1 Sb1 Eu3 3_555 . 4_555 146.00(3) ?
Eu1 Sb1 In 3_555 . 1_554 115.93(2) ?
Eu1 Sb1 In 3_555 . . 115.93(2) ?
Eu2 Sb1 Eu3 3_555 . . 147.11(3) ?
Eu2 Sb1 Eu3 3_555 . 4_555 71.15(2) ?
Eu2 Sb1 In 3_555 . 1_554 117.63(2) ?
Eu2 Sb1 In 3_555 . . 117.63(2) ?
Eu3 Sb1 Eu3 . . 4_555 141.74(3) ?
Eu3 Sb1 In . . 1_554 77.79(2) ?
Eu3 Sb1 In . . . 77.79(2) ?
Eu3 Sb1 In 4_555 . 1_554 80.79(2) ?
Eu3 Sb1 In 4_555 . . 80.79(2) ?
In Sb1 In 1_554 . . 110.82(3) ?
Eu1 Sb2 Eu1 . . 1_556 85.78(2) ?
Eu1 Sb2 Eu2 . . . 75.139(12) ?
Eu1 Sb2 Eu2 . . 1_556 133.25(3) ?
Eu1 Sb2 Eu3 . . . 86.286(12) ?
Eu1 Sb2 Eu3 . . 1_556 151.16(3) ?
Eu1 Sb2 In . . . 73.42(2) ?
Eu1 Sb2 Eu2 1_556 . . 133.25(3) ?
Eu1 Sb2 Eu2 1_556 . 1_556 75.139(12) ?
Eu1 Sb2 Eu3 1_556 . . 151.16(3) ?
Eu1 Sb2 Eu3 1_556 . 1_556 86.286(12) ?
Eu1 Sb2 In 1_556 . . 73.42(2) ?
Eu2 Sb2 Eu2 . . 1_556 87.54(2) ?
Eu2 Sb2 Eu3 . . . 70.533(13) ?
Eu2 Sb2 Eu3 . . 1_556 128.53(3) ?
Eu2 Sb2 In . . . 136.220(11) ?
Eu2 Sb2 Eu3 1_556 . . 128.53(3) ?
Eu2 Sb2 Eu3 1_556 . 1_556 70.533(13) ?
Eu2 Sb2 In 1_556 . . 136.220(11) ?
Eu3 Sb2 Eu3 . . 1_556 87.43(2) ?
Eu3 Sb2 In . . . 77.73(2) ?
Eu3 Sb2 In 1_556 . . 77.73(2) ?
Eu1 Sb3 Eu1 3_555 . 3_556 85.90(2) ?
Eu1 Sb3 Eu1 3_555 . 4_455 79.540(14) ?
Eu1 Sb3 Eu1 3_555 . 4_456 134.89(3) ?
Eu1 Sb3 Eu3 3_555 . . 72.799(14) ?
Eu1 Sb3 Eu3 3_555 . 1_556 129.73(3) ?
Eu1 Sb3 In 3_555 . 4_456 137.044(12) ?
Eu1 Sb3 Sb3 3_555 . 2_565 70.57(2) ?
Eu1 Sb3 Eu1 3_556 . 4_455 134.89(3) ?
Eu1 Sb3 Eu1 3_556 . 4_456 79.540(14) ?
Eu1 Sb3 Eu3 3_556 . . 129.73(3) ?
Eu1 Sb3 Eu3 3_556 . 1_556 72.799(14) ?
Eu1 Sb3 In 3_556 . 4_456 137.044(12) ?
Eu1 Sb3 Sb3 3_556 . 2_565 70.57(2) ?
Eu1 Sb3 Eu1 4_455 . 4_456 81.25(2) ?
Eu1 Sb3 Eu3 4_455 . . 85.998(13) ?
Eu1 Sb3 Eu3 4_455 . 1_556 145.44(3) ?
Eu1 Sb3 In 4_455 . 4_456 68.478(19) ?
Eu1 Sb3 Sb3 4_455 . 2_565 64.31(2) ?
Eu1 Sb3 Eu3 4_456 . . 145.44(3) ?
Eu1 Sb3 Eu3 4_456 . 1_556 85.998(13) ?
Eu1 Sb3 In 4_456 . 4_456 68.478(19) ?
Eu1 Sb3 Sb3 4_456 . 2_565 64.31(2) ?
Eu3 Sb3 Eu3 . . 1_556 86.64(2) ?
Eu3 Sb3 In . . 4_456 76.97(2) ?
Eu3 Sb3 Sb3 . . 2_565 136.063(14) ?
Eu3 Sb3 In 1_556 . 4_456 76.97(2) ?
Eu3 Sb3 Sb3 1_556 . 2_565 136.063(14) ?
In Sb3 Sb3 4_456 . 2_565 116.27(4) ?

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
? ? ? ? ? ? ? ? ? ? ?


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

# 11. STRUCTURE-FACTOR LIST



####################################################################### 
# 
# 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 1964595'
loop_
_audit_author_name
_audit_author_address
'Oliver Janka'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-11-08 deposited with the CCDC.	2020-02-03 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            'As3 Eu3 Ga1'
_chemical_formula_weight         750.4
_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 e'
_symmetry_space_group_name_Hall  '-C -2x;-2ybc;-2zbc'
_symmetry_Int_Tables_number      64

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

_cell_length_a                   19.0356(11)
_cell_length_b                   6.4695(5)
_cell_length_c                   12.6017(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1551.91

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            8

_cell_measurement_reflns_used    5822
_cell_measurement_theta_min      5.37
_cell_measurement_theta_max      33.42
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    6.42
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             2552

_exptl_absorpt_coefficient_mu    39.9
_exptl_crystal_description       block
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.025
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            black
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.1906
_exptl_absorpt_correction_T_max  0.6168
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            12695
_diffrn_reflns_theta_min         3.23
_diffrn_reflns_theta_max         33.42
_diffrn_reflns_theta_full        33.42
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measured_fraction_theta_full 0.99
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_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             1539
_reflns_number_gt                975
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef F
_refine_ls_R_factor_gt           0.0456
_refine_ls_wR_factor_gt          0.0547
_refine_ls_R_factor_all          0.0759
_refine_ls_wR_factor_ref         0.0561
_refine_ls_goodness_of_fit_ref   2.39
_refine_ls_goodness_of_fit_gt    2.95
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         1539
_refine_ls_number_parameters     37
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(F)+0.0001F²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0098
_refine_ls_shift/su_mean         0.0013
_refine_diff_density_max         2.38
_refine_diff_density_min         -2.79
_refine_ls_extinction_method     
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       150(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
As 0.0499 2.0058 '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'
Ga 0.2307 1.6083 '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
Eu1 Eu 0 0.18357(17) 0.35269(7) Uani 0.0257(2) 8 1 d . . .
Eu2 Eu 0.17597(3) 0.30637(12) 0.13031(6) Uani 0.02633(17) 16 1 d . . .
Ga Ga 0.08726(12) 0 0 Uani 0.0239(5) 8 1 d . . .
As1 As 0 0.2100(3) 0.10554(16) Uani 0.0250(5) 8 1 d . . .
As2 As 0.33956(6) 0.2895(2) 0.12241(11) Uani 0.0251(3) 16 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
Eu2 As2 . . 3.1174(13) ?
Eu2 As2 . 11_555 3.1320(15) ?
Eu2 As2 . 13_555 3.2581(15) ?
Eu2 As2 . 16_545 3.3583(16) ?
Eu2 As2 . 16_555 3.1413(16) ?
Eu2 As1 . . 3.4216(8) ?
Eu2 Ga1 . . 3.0785(14) ?
As2 Eu1 . 11_555 3.1457(12) ?
As2 Ga1 . 13_555 2.4849(18) ?
Eu1 As1 . . 3.119(2) ?
Eu1 As1 . 2_555 3.260(2) ?
Eu1 As1 . 3_545 3.109(2) ?
Eu1 As1 . 3_555 3.446(2) ?
Eu1 Ga1 . 2_555 3.2242(15) ?
Eu1 Ga1 . 6_555 3.2242(15) ?
As1 As1 . 4_555 3.802(3) ?
As1 Ga1 . . 2.525(2) ?
As1 Ga1 . 5_555 2.525(2) ?
Ga1 Ga1 . 5_555 3.322(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
As2 Eu2 As2 . . 11_555 97.17(4) ?
As2 Eu2 As2 . . 13_555 93.03(4) ?
As2 Eu2 As2 . . 16_545 92.99(4) ?
As2 Eu2 As2 . . 16_555 97.34(4) ?
As2 Eu2 As1 . . . 165.61(5) ?
As2 Eu2 Ga1 . . . 120.56(5) ?
As2 Eu2 As2 11_555 . 13_555 163.20(4) ?
As2 Eu2 As2 11_555 . 16_545 89.23(4) ?
As2 Eu2 As2 11_555 . 16_555 93.28(4) ?
As2 Eu2 As1 11_555 . . 89.54(4) ?
As2 Eu2 Ga1 11_555 . . 117.16(4) ?
As2 Eu2 As2 13_555 . 16_545 76.91(4) ?
As2 Eu2 As2 13_555 . 16_555 98.62(4) ?
As2 Eu2 As1 13_555 . . 77.72(4) ?
As2 Eu2 Ga1 13_555 . . 46.07(3) ?
As2 Eu2 As2 16_545 . 16_555 168.97(4) ?
As2 Eu2 As1 16_545 . . 74.32(4) ?
As2 Eu2 Ga1 16_545 . . 45.16(3) ?
As2 Eu2 As1 16_555 . . 94.95(4) ?
As2 Eu2 Ga1 16_555 . . 124.90(4) ?
As1 Eu2 Ga1 . . . 45.33(5) ?
Eu2 As2 Eu2 . . 11_555 82.69(3) ?
Eu2 As2 Eu2 . . 13_555 86.97(4) ?
Eu2 As2 Eu2 . . 16_545 86.55(4) ?
Eu2 As2 Eu2 . . 16_555 82.89(3) ?
Eu2 As2 Eu1 . . 11_555 166.96(5) ?
Eu2 As2 Ga1 . . 13_555 124.10(7) ?
Eu2 As2 Eu2 11_555 . 13_555 166.07(5) ?
Eu2 As2 Eu2 11_555 . 16_545 89.67(4) ?
Eu2 As2 Eu2 11_555 . 16_555 85.84(4) ?
Eu2 As2 Eu1 11_555 . 11_555 90.00(4) ?
Eu2 As2 Ga1 11_555 . 13_555 130.66(5) ?
Eu2 As2 Eu2 13_555 . 16_545 80.38(4) ?
Eu2 As2 Eu2 13_555 . 16_555 102.15(4) ?
Eu2 As2 Eu1 13_555 . 11_555 98.29(4) ?
Eu2 As2 Ga1 13_555 . 13_555 63.15(4) ?
Eu2 As2 Eu2 16_545 . 16_555 168.97(4) ?
Eu2 As2 Eu1 16_545 . 11_555 82.61(4) ?
Eu2 As2 Ga1 16_545 . 13_555 128.15(5) ?
Eu2 As2 Eu1 16_555 . 11_555 107.43(4) ?
Eu2 As2 Ga1 16_555 . 13_555 61.45(4) ?
Eu1 As2 Ga1 11_555 . 13_555 68.72(5) ?
As2 Eu1 As2 11_555 . 14_455 152.27(5) ?
As2 Eu1 As1 11_555 . . 95.03(3) ?
As2 Eu1 As1 11_555 . 2_555 81.75(3) ?
As2 Eu1 As1 11_555 . 3_545 101.41(3) ?
As2 Eu1 As1 11_555 . 3_555 76.67(3) ?
As2 Eu1 Ga1 11_555 . 2_555 107.72(5) ?
As2 Eu1 Ga1 11_555 . 6_555 45.90(4) ?
As2 Eu1 As1 14_455 . . 95.03(3) ?
As2 Eu1 As1 14_455 . 2_555 81.75(3) ?
As2 Eu1 As1 14_455 . 3_545 101.41(3) ?
As2 Eu1 As1 14_455 . 3_555 76.67(3) ?
As2 Eu1 Ga1 14_455 . 2_555 45.90(4) ?
As2 Eu1 Ga1 14_455 . 6_555 107.72(5) ?
As1 Eu1 As1 . . 2_555 164.66(7) ?
As1 Eu1 As1 . . 3_545 102.89(6) ?
As1 Eu1 As1 . . 3_555 95.64(6) ?
As1 Eu1 Ga1 . . 2_555 122.69(4) ?
As1 Eu1 Ga1 . . 6_555 122.69(4) ?
As1 Eu1 As1 2_555 . 3_545 92.45(6) ?
As1 Eu1 As1 2_555 . 3_555 69.02(5) ?
As1 Eu1 Ga1 2_555 . 2_555 45.82(4) ?
As1 Eu1 Ga1 2_555 . 6_555 45.82(4) ?
As1 Eu1 As1 3_545 . 3_555 161.47(6) ?
As1 Eu1 Ga1 3_545 . 2_555 121.89(4) ?
As1 Eu1 Ga1 3_545 . 6_555 121.89(4) ?
As1 Eu1 Ga1 3_555 . 2_555 44.32(3) ?
As1 Eu1 Ga1 3_555 . 6_555 44.32(3) ?
Ga1 Eu1 Ga1 2_555 . 6_555 62.02(5) ?
Eu2 As1 Eu2 . . 8_555 156.48(7) ?
Eu2 As1 Eu1 . . . 85.35(4) ?
Eu2 As1 Eu1 . . 2_554 92.91(4) ?
Eu2 As1 Eu1 . . 3_545 99.56(4) ?
Eu2 As1 Eu1 . . 3_555 78.75(4) ?
Eu2 As1 As1 . . 4_555 101.19(4) ?
Eu2 As1 Ga1 . . . 60.13(4) ?
Eu2 As1 Ga1 . . 5_555 142.21(8) ?
Eu2 As1 Eu1 8_555 . . 85.35(4) ?
Eu2 As1 Eu1 8_555 . 2_554 92.91(4) ?
Eu2 As1 Eu1 8_555 . 3_545 99.56(4) ?
Eu2 As1 Eu1 8_555 . 3_555 78.75(4) ?
Eu2 As1 As1 8_555 . 4_555 101.19(4) ?
Eu2 As1 Ga1 8_555 . . 142.21(8) ?
Eu2 As1 Ga1 8_555 . 5_555 60.13(4) ?
Eu1 As1 Eu1 . . 2_554 170.95(8) ?
Eu1 As1 Eu1 . . 3_545 78.07(5) ?
Eu1 As1 Eu1 . . 3_555 83.39(6) ?
Eu1 As1 As1 . . 4_555 131.25(7) ?
Eu1 As1 Ga1 . . . 119.77(6) ?
Eu1 As1 Ga1 . . 5_555 119.77(6) ?
Eu1 As1 Eu1 2_554 . 3_545 110.98(6) ?
Eu1 As1 Eu1 2_554 . 3_555 87.55(6) ?
Eu1 As1 As1 2_554 . 4_555 57.81(5) ?
Eu1 As1 Ga1 2_554 . . 66.34(5) ?
Eu1 As1 Ga1 2_554 . 5_555 66.34(5) ?
Eu1 As1 Eu1 3_545 . 3_555 161.47(7) ?
Eu1 As1 As1 3_545 . 4_555 53.17(5) ?
Eu1 As1 Ga1 3_545 . . 63.17(5) ?
Eu1 As1 Ga1 3_545 . 5_555 63.17(5) ?
Eu1 As1 As1 3_555 . 4_555 145.36(7) ?
Eu1 As1 Ga1 3_555 . . 128.29(6) ?
Eu1 As1 Ga1 3_555 . 5_555 128.29(6) ?
As1 As1 Ga1 4_555 . . 41.14(5) ?
As1 As1 Ga1 4_555 . 5_555 41.14(5) ?
Ga1 As1 Ga1 . . 5_555 82.29(8) ?
Eu2 Ga1 Eu2 . . 4_555 113.46(7) ?
Eu2 Ga1 As2 . . 13_555 70.78(5) ?
Eu2 Ga1 As2 . . 16_545 73.39(5) ?
Eu2 Ga1 Eu1 . . 2_554 100.42(2) ?
Eu2 Ga1 Eu1 . . 3_545 112.60(2) ?
Eu2 Ga1 As1 . . . 74.54(3) ?
Eu2 Ga1 As1 . . 4_555 171.27(8) ?
Eu2 Ga1 Ga1 . . 5_555 123.27(4) ?
Eu2 Ga1 As2 4_555 . 13_555 73.39(5) ?
Eu2 Ga1 As2 4_555 . 16_545 70.78(5) ?
Eu2 Ga1 Eu1 4_555 . 2_554 112.60(2) ?
Eu2 Ga1 Eu1 4_555 . 3_545 100.42(2) ?
Eu2 Ga1 As1 4_555 . . 171.27(8) ?
Eu2 Ga1 As1 4_555 . 4_555 74.54(3) ?
Eu2 Ga1 Ga1 4_555 . 5_555 123.27(4) ?
As2 Ga1 As2 13_555 . 16_545 111.80(10) ?
As2 Ga1 Eu1 13_555 . 2_554 65.38(3) ?
As2 Ga1 Eu1 13_555 . 3_545 173.81(5) ?
As2 Ga1 As1 13_555 . . 113.64(6) ?
As2 Ga1 As1 13_555 . 4_555 109.68(5) ?
As2 Ga1 Ga1 13_555 . 5_555 124.10(5) ?
As2 Ga1 Eu1 16_545 . 2_554 173.81(5) ?
As2 Ga1 Eu1 16_545 . 3_545 65.38(3) ?
As2 Ga1 As1 16_545 . . 109.68(5) ?
As2 Ga1 As1 16_545 . 4_555 113.64(6) ?
As2 Ga1 Ga1 16_545 . 5_555 124.10(5) ?
Eu1 Ga1 Eu1 2_554 . 3_545 117.98(7) ?
Eu1 Ga1 As1 2_554 . . 67.83(6) ?
Eu1 Ga1 As1 2_554 . 4_555 72.51(6) ?
Eu1 Ga1 Ga1 2_554 . 5_555 58.99(4) ?
Eu1 Ga1 As1 3_545 . . 72.51(6) ?
Eu1 Ga1 As1 3_545 . 4_555 67.83(6) ?
Eu1 Ga1 Ga1 3_545 . 5_555 58.99(4) ?
As1 Ga1 As1 . . 4_555 97.71(9) ?
As1 Ga1 Ga1 . . 5_555 48.86(5) ?
As1 Ga1 Ga1 4_555 . 5_555 48.86(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
? ? ? ? ? ? ? ? ? ? ?


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

# 11. STRUCTURE-FACTOR LIST


####################################################################### 
# 
# 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 1964596'
loop_
_audit_author_name
_audit_author_address
'Oliver Janka'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-11-08 deposited with the CCDC.	2020-02-03 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            'Bi6 Eu5 In2'
_chemical_formula_weight         2243.3
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

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

# 6. CRYSTAL DATA

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b a m'
_symmetry_space_group_name_Hall  '-P -2xab;-2yab;-2z'
_symmetry_Int_Tables_number      55

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x+1/2,y+1/2,-z
4 x+1/2,-y+1/2,-z
5 -x,-y,-z
6 x,y,-z
7 x+1/2,-y+1/2,z
8 -x+1/2,y+1/2,z

_cell_length_a                   7.7753(7)
_cell_length_b                   24.0911(18)
_cell_length_c                   4.7023(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     880.8138

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    5871
_cell_measurement_theta_min      4.38
_cell_measurement_theta_max      33.60
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    8.46
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1822

_exptl_absorpt_coefficient_mu    79.7
_exptl_crystal_description       block
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            black
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.1031
_exptl_absorpt_correction_T_max  0.6423
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            14149
_diffrn_reflns_theta_min         2.75
_diffrn_reflns_theta_max         33.44
_diffrn_reflns_theta_full        33.44
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measured_fraction_theta_full 0.98
_diffrn_reflns_av_R_equivalents  0.1379
_diffrn_reflns_av_unetI/netI     0.0877
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_limit_l_max       7
_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             1864
_reflns_number_gt                974
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0429
_refine_ls_wR_factor_gt          0.0717
_refine_ls_R_factor_all          0.1146
_refine_ls_wR_factor_ref         0.0871
_refine_ls_goodness_of_fit_ref   1.20
_refine_ls_goodness_of_fit_gt    1.37
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         1864
_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          0.0006
_refine_ls_shift/su_mean         0.0001
_refine_diff_density_max         5.71
_refine_diff_density_min         -5.42
_refine_ls_extinction_method     
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       123(11)
_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
Bi -4.1077 10.2566 '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'
In -0.7276 1.3100 '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
Eu1 Eu 0 0 0 Uani 0.0175(4) 2 1 d . . .
Eu2 Eu 0.27903(15) 0.25658(5) 0 Uani 0.0185(4) 4 1 d . . .
Eu3 Eu 0.47630(17) 0.08733(5) 0 Uani 0.0198(4) 4 1 d . . .
In In 0.3313(2) 0.38075(8) 0.5 Uani 0.0217(5) 4 1 d . . .
Bi1 Bi 0.20438(11) 0.50019(5) 0.5 Uani 0.0189(2) 4 1 d . . .
Bi2 Bi 0.01489(13) 0.31167(4) 0.5 Uani 0.0188(2) 4 1 d . . .
Bi3 Bi 0.05506(11) 0.13638(4) 0 Uani 0.0189(2) 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
Eu1 In . 3_545 3.9373(15) ?
Eu1 In . 3_546 3.9373(15) ?
Eu1 In . 4_455 3.9373(15) ?
Eu1 In . 4_456 3.9373(15) ?
Eu1 Bi1 . 3_545 3.2880(6) ?
Eu1 Bi1 . 3_546 3.2880(6) ?
Eu1 Bi1 . 4_455 3.2880(6) ?
Eu1 Bi1 . 4_456 3.2880(6) ?
Eu1 Bi3 . . 3.3133(10) ?
Eu1 Bi3 . 2_555 3.3133(10) ?
Eu2 Eu2 . 4_455 3.9006(17) ?
Eu2 Eu2 . 4_555 3.9006(17) ?
Eu2 In . 1_554 3.8263(18) ?
Eu2 In . . 3.8263(18) ?
Eu2 Bi2 . 1_554 3.3921(11) ?
Eu2 Bi2 . . 3.3921(11) ?
Eu2 Bi2 . 4_555 3.4051(11) ?
Eu2 Bi2 . 4_556 3.4051(11) ?
Eu2 Bi3 . . 3.3791(16) ?
Eu2 Bi3 . 4_555 3.3550(15) ?
Eu3 In . 4_555 3.7064(17) ?
Eu3 In . 4_556 3.7064(17) ?
Eu3 Bi1 . 3_545 3.4508(12) ?
Eu3 Bi1 . 3_546 3.4508(12) ?
Eu3 Bi1 . 4_555 3.6220(12) ?
Eu3 Bi1 . 4_556 3.6220(12) ?
Eu3 Bi2 . 4_555 3.3969(11) ?
Eu3 Bi2 . 4_556 3.3969(11) ?
Eu3 Bi3 . . 3.4819(16) ?
In Bi1 . . 3.042(2) ?
In Bi2 . . 2.970(2) ?
In Bi3 . 4_555 2.9539(12) ?
In Bi3 . 4_556 2.9539(12) ?
Bi1 Bi1 . 2_565 3.1782(13) ?

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
In Eu1 In 3_545 . 3_546 73.33(2) ?
In Eu1 In 3_545 . 4_455 106.67(2) ?
In Eu1 In 3_545 . 4_456 180 ?
In Eu1 Bi1 3_545 . 3_545 48.79(3) ?
In Eu1 Bi1 3_545 . 3_546 101.25(3) ?
In Eu1 Bi1 3_545 . 4_455 78.75(3) ?
In Eu1 Bi1 3_545 . 4_456 131.21(3) ?
In Eu1 Bi3 3_545 . . 132.88(2) ?
In Eu1 Bi3 3_545 . 2_555 47.12(2) ?
In Eu1 In 3_546 . 4_455 180 ?
In Eu1 In 3_546 . 4_456 106.67(2) ?
In Eu1 Bi1 3_546 . 3_545 101.25(3) ?
In Eu1 Bi1 3_546 . 3_546 48.79(3) ?
In Eu1 Bi1 3_546 . 4_455 131.21(3) ?
In Eu1 Bi1 3_546 . 4_456 78.75(3) ?
In Eu1 Bi3 3_546 . . 132.88(2) ?
In Eu1 Bi3 3_546 . 2_555 47.12(2) ?
In Eu1 In 4_455 . 4_456 73.33(2) ?
In Eu1 Bi1 4_455 . 3_545 78.75(3) ?
In Eu1 Bi1 4_455 . 3_546 131.21(3) ?
In Eu1 Bi1 4_455 . 4_455 48.79(3) ?
In Eu1 Bi1 4_455 . 4_456 101.25(3) ?
In Eu1 Bi3 4_455 . . 47.12(2) ?
In Eu1 Bi3 4_455 . 2_555 132.88(2) ?
In Eu1 Bi1 4_456 . 3_545 131.21(3) ?
In Eu1 Bi1 4_456 . 3_546 78.75(3) ?
In Eu1 Bi1 4_456 . 4_455 101.25(3) ?
In Eu1 Bi1 4_456 . 4_456 48.79(3) ?
In Eu1 Bi3 4_456 . . 47.12(2) ?
In Eu1 Bi3 4_456 . 2_555 132.88(2) ?
Bi1 Eu1 Bi1 3_545 . 3_546 91.297(16) ?
Bi1 Eu1 Bi1 3_545 . 4_455 88.703(16) ?
Bi1 Eu1 Bi1 3_545 . 4_456 180 ?
Bi1 Eu1 Bi3 3_545 . . 84.74(2) ?
Bi1 Eu1 Bi3 3_545 . 2_555 95.26(2) ?
Bi1 Eu1 Bi1 3_546 . 4_455 180 ?
Bi1 Eu1 Bi1 3_546 . 4_456 88.703(16) ?
Bi1 Eu1 Bi3 3_546 . . 84.74(2) ?
Bi1 Eu1 Bi3 3_546 . 2_555 95.26(2) ?
Bi1 Eu1 Bi1 4_455 . 4_456 91.297(16) ?
Bi1 Eu1 Bi3 4_455 . . 95.26(2) ?
Bi1 Eu1 Bi3 4_455 . 2_555 84.74(2) ?
Bi1 Eu1 Bi3 4_456 . . 95.26(2) ?
Bi1 Eu1 Bi3 4_456 . 2_555 84.74(2) ?
Bi3 Eu1 Bi3 . . 2_555 180 ?
Eu2 Eu2 Eu2 4_455 . 4_555 170.67(4) ?
Eu2 Eu2 In 4_455 . 1_554 99.75(4) ?
Eu2 Eu2 In 4_455 . . 99.75(4) ?
Eu2 Eu2 Bi2 4_455 . 1_554 55.14(2) ?
Eu2 Eu2 Bi2 4_455 . . 55.14(2) ?
Eu2 Eu2 Bi2 4_455 . 4_555 119.84(3) ?
Eu2 Eu2 Bi2 4_455 . 4_556 119.84(3) ?
Eu2 Eu2 Bi3 4_455 . . 54.32(3) ?
Eu2 Eu2 Bi3 4_455 . 4_555 134.44(4) ?
Eu2 Eu2 In 4_555 . 1_554 87.58(4) ?
Eu2 Eu2 In 4_555 . . 87.58(4) ?
Eu2 Eu2 Bi2 4_555 . 1_554 129.44(3) ?
Eu2 Eu2 Bi2 4_555 . . 129.44(3) ?
Eu2 Eu2 Bi2 4_555 . 4_555 54.83(2) ?
Eu2 Eu2 Bi2 4_555 . 4_556 54.83(2) ?
Eu2 Eu2 Bi3 4_555 . . 116.36(4) ?
Eu2 Eu2 Bi3 4_555 . 4_555 54.89(3) ?
In Eu2 In 1_554 . . 75.83(3) ?
In Eu2 Bi2 1_554 . 1_554 48.13(3) ?
In Eu2 Bi2 1_554 . . 100.62(4) ?
In Eu2 Bi2 1_554 . 4_555 84.03(3) ?
In Eu2 Bi2 1_554 . 4_556 138.12(5) ?
In Eu2 Bi3 1_554 . . 136.44(3) ?
In Eu2 Bi3 1_554 . 4_555 48.03(3) ?
In Eu2 Bi2 . . 1_554 100.62(4) ?
In Eu2 Bi2 . . . 48.13(3) ?
In Eu2 Bi2 . . 4_555 138.12(5) ?
In Eu2 Bi2 . . 4_556 84.03(3) ?
In Eu2 Bi3 . . . 136.44(3) ?
In Eu2 Bi3 . . 4_555 48.03(3) ?
Bi2 Eu2 Bi2 1_554 . . 87.75(3) ?
Bi2 Eu2 Bi2 1_554 . 4_555 92.086(16) ?
Bi2 Eu2 Bi2 1_554 . 4_556 173.49(5) ?
Bi2 Eu2 Bi3 1_554 . . 91.33(3) ?
Bi2 Eu2 Bi3 1_554 . 4_555 94.97(3) ?
Bi2 Eu2 Bi2 . . 4_555 173.49(5) ?
Bi2 Eu2 Bi2 . . 4_556 92.086(16) ?
Bi2 Eu2 Bi3 . . . 91.33(3) ?
Bi2 Eu2 Bi3 . . 4_555 94.97(3) ?
Bi2 Eu2 Bi2 4_555 . 4_556 87.34(3) ?
Bi2 Eu2 Bi3 4_555 . . 82.17(3) ?
Bi2 Eu2 Bi3 4_555 . 4_555 91.52(3) ?
Bi2 Eu2 Bi3 4_556 . . 82.17(3) ?
Bi2 Eu2 Bi3 4_556 . 4_555 91.52(3) ?
Bi3 Eu2 Bi3 . . 4_555 171.25(5) ?
In Eu3 In 4_555 . 4_556 78.74(4) ?
In Eu3 Bi1 4_555 . 3_545 89.84(3) ?
In Eu3 Bi1 4_555 . 3_546 149.49(5) ?
In Eu3 Bi1 4_555 . 4_555 49.03(3) ?
In Eu3 Bi1 4_555 . 4_556 99.67(4) ?
In Eu3 Bi2 4_555 . 4_555 49.20(3) ?
In Eu3 Bi2 4_555 . 4_556 102.98(4) ?
In Eu3 Bi3 4_555 . . 129.06(4) ?
In Eu3 Bi1 4_556 . 3_545 149.49(5) ?
In Eu3 Bi1 4_556 . 3_546 89.84(3) ?
In Eu3 Bi1 4_556 . 4_555 99.67(4) ?
In Eu3 Bi1 4_556 . 4_556 49.03(3) ?
In Eu3 Bi2 4_556 . 4_555 102.98(4) ?
In Eu3 Bi2 4_556 . 4_556 49.20(3) ?
In Eu3 Bi3 4_556 . . 129.06(4) ?
Bi1 Eu3 Bi1 3_545 . 3_546 85.90(3) ?
Bi1 Eu3 Bi1 3_545 . 4_555 53.34(2) ?
Bi1 Eu3 Bi1 3_545 . 4_556 106.71(4) ?
Bi1 Eu3 Bi2 3_545 . 4_555 90.008(19) ?
Bi1 Eu3 Bi2 3_545 . 4_556 160.61(5) ?
Bi1 Eu3 Bi3 3_545 . . 79.83(3) ?
Bi1 Eu3 Bi1 3_546 . 4_555 106.71(4) ?
Bi1 Eu3 Bi1 3_546 . 4_556 53.34(2) ?
Bi1 Eu3 Bi2 3_546 . 4_555 160.61(5) ?
Bi1 Eu3 Bi2 3_546 . 4_556 90.008(19) ?
Bi1 Eu3 Bi3 3_546 . . 79.83(3) ?
Bi1 Eu3 Bi1 4_555 . 4_556 80.95(3) ?
Bi1 Eu3 Bi2 4_555 . 4_555 85.67(2) ?
Bi1 Eu3 Bi2 4_555 . 4_556 145.39(5) ?
Bi1 Eu3 Bi3 4_555 . . 131.16(3) ?
Bi1 Eu3 Bi2 4_556 . 4_555 145.39(5) ?
Bi1 Eu3 Bi2 4_556 . 4_556 85.67(2) ?
Bi1 Eu3 Bi3 4_556 . . 131.16(3) ?
Bi2 Eu3 Bi2 4_555 . 4_556 87.60(3) ?
Bi2 Eu3 Bi3 4_555 . . 80.79(3) ?
Bi2 Eu3 Bi3 4_556 . . 80.79(3) ?
Eu1 In Eu1 3_555 . 3_556 73.33(3) ?
Eu1 In Eu2 3_555 . . 103.820(14) ?
Eu1 In Eu2 3_555 . 1_556 166.59(5) ?
Eu1 In Eu3 3_555 . 4_455 73.62(3) ?
Eu1 In Eu3 3_555 . 4_456 118.39(5) ?
Eu1 In Bi1 3_555 . . 54.40(3) ?
Eu1 In Bi2 3_555 . . 133.22(4) ?
Eu1 In Bi3 3_555 . 4_555 55.28(3) ?
Eu1 In Bi3 3_555 . 4_556 112.39(5) ?
Eu1 In Eu2 3_556 . . 166.59(5) ?
Eu1 In Eu2 3_556 . 1_556 103.820(14) ?
Eu1 In Eu3 3_556 . 4_455 118.39(5) ?
Eu1 In Eu3 3_556 . 4_456 73.62(3) ?
Eu1 In Bi1 3_556 . . 54.40(3) ?
Eu1 In Bi2 3_556 . . 133.22(4) ?
Eu1 In Bi3 3_556 . 4_555 112.39(5) ?
Eu1 In Bi3 3_556 . 4_556 55.28(3) ?
Eu2 In Eu2 . . 1_556 75.83(4) ?
Eu2 In Eu3 . . 4_455 72.14(3) ?
Eu2 In Eu3 . . 4_456 118.22(5) ?
Eu2 In Bi1 . . . 134.83(4) ?
Eu2 In Bi2 . . . 58.26(3) ?
Eu2 In Bi3 . . 4_555 57.61(3) ?
Eu2 In Bi3 . . 4_556 116.26(6) ?
Eu2 In Eu3 1_556 . 4_455 118.22(5) ?
Eu2 In Eu3 1_556 . 4_456 72.14(3) ?
Eu2 In Bi1 1_556 . . 134.83(4) ?
Eu2 In Bi2 1_556 . . 58.26(3) ?
Eu2 In Bi3 1_556 . 4_555 116.26(6) ?
Eu2 In Bi3 1_556 . 4_556 57.61(3) ?
Eu3 In Eu3 4_455 . 4_456 78.74(4) ?
Eu3 In Bi1 4_455 . . 64.04(4) ?
Eu3 In Bi2 4_455 . . 59.96(4) ?
Eu3 In Bi3 4_455 . 4_555 87.86(2) ?
Eu3 In Bi3 4_455 . 4_556 166.54(5) ?
Eu3 In Bi1 4_456 . . 64.04(4) ?
Eu3 In Bi2 4_456 . . 59.96(4) ?
Eu3 In Bi3 4_456 . 4_555 166.54(5) ?
Eu3 In Bi3 4_456 . 4_556 87.86(2) ?
Bi1 In Bi2 . . . 105.15(6) ?
Bi1 In Bi3 . . 4_555 108.86(5) ?
Bi1 In Bi3 . . 4_556 108.86(5) ?
Bi2 In Bi3 . . 4_555 114.18(5) ?
Bi2 In Bi3 . . 4_556 114.18(5) ?
Bi3 In Bi3 4_555 . 4_556 105.49(6) ?
Eu1 Bi1 Eu1 3_555 . 3_556 91.30(2) ?
Eu1 Bi1 Eu3 3_555 . 3_555 78.36(2) ?
Eu1 Bi1 Eu3 3_555 . 3_556 140.59(4) ?
Eu1 Bi1 Eu3 3_555 . 4_455 82.951(19) ?
Eu1 Bi1 Eu3 3_555 . 4_456 143.67(4) ?
Eu1 Bi1 In 3_555 . . 76.82(3) ?
Eu1 Bi1 Bi1 3_555 . 2_565 134.351(11) ?
Eu1 Bi1 Eu3 3_556 . 3_555 140.59(4) ?
Eu1 Bi1 Eu3 3_556 . 3_556 78.36(2) ?
Eu1 Bi1 Eu3 3_556 . 4_455 143.67(4) ?
Eu1 Bi1 Eu3 3_556 . 4_456 82.951(19) ?
Eu1 Bi1 In 3_556 . . 76.82(3) ?
Eu1 Bi1 Bi1 3_556 . 2_565 134.351(11) ?
Eu3 Bi1 Eu3 3_555 . 3_556 85.90(3) ?
Eu3 Bi1 Eu3 3_555 . 4_455 73.29(3) ?
Eu3 Bi1 Eu3 3_555 . 4_456 126.66(4) ?
Eu3 Bi1 In 3_555 . . 135.03(2) ?
Eu3 Bi1 Bi1 3_555 . 2_565 66.09(3) ?
Eu3 Bi1 Eu3 3_556 . 4_455 126.66(4) ?
Eu3 Bi1 Eu3 3_556 . 4_456 73.29(3) ?
Eu3 Bi1 In 3_556 . . 135.03(2) ?
Eu3 Bi1 Bi1 3_556 . 2_565 66.09(3) ?
Eu3 Bi1 Eu3 4_455 . 4_456 80.95(3) ?
Eu3 Bi1 In 4_455 . . 66.93(4) ?
Eu3 Bi1 Bi1 4_455 . 2_565 60.57(3) ?
Eu3 Bi1 In 4_456 . . 66.93(4) ?
Eu3 Bi1 Bi1 4_456 . 2_565 60.57(3) ?
In Bi1 Bi1 . . 2_565 108.76(5) ?
Eu2 Bi2 Eu2 . . 1_556 87.75(3) ?
Eu2 Bi2 Eu2 . . 4_455 70.04(3) ?
Eu2 Bi2 Eu2 . . 4_456 128.01(4) ?
Eu2 Bi2 Eu3 . . 4_455 81.60(3) ?
Eu2 Bi2 Eu3 . . 4_456 144.43(4) ?
Eu2 Bi2 In . . . 73.61(4) ?
Eu2 Bi2 Eu2 1_556 . 4_455 128.01(4) ?
Eu2 Bi2 Eu2 1_556 . 4_456 70.04(3) ?
Eu2 Bi2 Eu3 1_556 . 4_455 144.43(4) ?
Eu2 Bi2 Eu3 1_556 . 4_456 81.60(3) ?
Eu2 Bi2 In 1_556 . . 73.61(4) ?
Eu2 Bi2 Eu2 4_455 . 4_456 87.34(3) ?
Eu2 Bi2 Eu3 4_455 . 4_455 79.65(3) ?
Eu2 Bi2 Eu3 4_455 . 4_456 140.92(4) ?
Eu2 Bi2 In 4_455 . . 135.780(19) ?
Eu2 Bi2 Eu3 4_456 . 4_455 140.92(4) ?
Eu2 Bi2 Eu3 4_456 . 4_456 79.65(3) ?
Eu2 Bi2 In 4_456 . . 135.780(19) ?
Eu3 Bi2 Eu3 4_455 . 4_456 87.60(3) ?
Eu3 Bi2 In 4_455 . . 70.84(4) ?
Eu3 Bi2 In 4_456 . . 70.84(4) ?
Eu1 Bi3 Eu2 . . . 156.40(4) ?
Eu1 Bi3 Eu2 . . 4_455 132.81(3) ?
Eu1 Bi3 Eu3 . . . 77.59(3) ?
Eu1 Bi3 In . . 4_455 77.61(4) ?
Eu1 Bi3 In . . 4_456 77.61(4) ?
Eu2 Bi3 Eu2 . . 4_455 70.79(3) ?
Eu2 Bi3 Eu3 . . . 78.82(3) ?
Eu2 Bi3 In . . 4_455 115.04(4) ?
Eu2 Bi3 In . . 4_456 115.04(4) ?
Eu2 Bi3 Eu3 4_455 . . 149.61(4) ?
Eu2 Bi3 In 4_455 . 4_455 74.37(4) ?
Eu2 Bi3 In 4_455 . 4_456 74.37(4) ?
Eu3 Bi3 In . . 4_455 120.44(4) ?
Eu3 Bi3 In . . 4_456 120.44(4) ?
In Bi3 In 4_455 . 4_456 105.49(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
? ? ? ? ? ? ? ? ? ? ?


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

# 11. STRUCTURE-FACTOR LIST



####################################################################### 
# 
# 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_CCDC4
_database_code_depnum_ccdc_archive 'CCDC 1964594'
loop_
_audit_author_name
_audit_author_address
'Oliver Janka'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-11-08 deposited with the CCDC.	2020-02-03 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            'Eu5 In2 Sb6'
_chemical_formula_weight         1719.9
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

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

# 6. CRYSTAL DATA

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b a m'
_symmetry_space_group_name_Hall  '-P -2xab;-2yab;-2z'
_symmetry_Int_Tables_number      55

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x+1/2,y+1/2,-z
4 x+1/2,-y+1/2,-z
5 -x,-y,-z
6 x,y,-z
7 x+1/2,-y+1/2,z
8 -x+1/2,y+1/2,z

_cell_length_a                   12.5136(9)
_cell_length_b                   14.5953(10)
_cell_length_c                   4.6343(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     846.41

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    3766
_cell_measurement_theta_min      3.23
_cell_measurement_theta_max      33.60
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    6.75
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1438

_exptl_absorpt_coefficient_mu    30.2
_exptl_crystal_description       block
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.035
_exptl_crystal_size_min          0.030
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            black
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.3707
_exptl_absorpt_correction_T_max  0.6491
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            9667
_diffrn_reflns_theta_min         2.79
_diffrn_reflns_theta_max         33.44
_diffrn_reflns_theta_full        33.2
_diffrn_measured_fraction_theta_max 0.97
_diffrn_measured_fraction_theta_full 0.98
_diffrn_reflns_av_R_equivalents  0.0862
_diffrn_reflns_av_unetI/netI     0.0810
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_limit_l_max       7
_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             1779
_reflns_number_gt                901
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0244
_refine_ls_wR_factor_gt          0.0543
_refine_ls_R_factor_all          0.0779
_refine_ls_wR_factor_ref         0.0626
_refine_ls_goodness_of_fit_ref   0.94
_refine_ls_goodness_of_fit_gt    1.16
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         1779
_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         3.31
_refine_diff_density_min         -3.26
_refine_ls_extinction_method     
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       680(20)
_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
Eu -0.1578 3.6682 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
In -0.7276 1.3100 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Sb -0.5866 1.5461 '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
Eu1 Eu 0.32738(7) 0.01908(5) 0 Uani 0.01355(19) 4 1 d . . .
Eu2 Eu 0 0 0 Uani 0.0124(3) 2 1 d . . .
Eu3 Eu 0.08709(7) 0.24941(7) 0 Uani 0.01217(16) 4 1 d . . .
In In 0.33051(10) 0.21472(7) 0.5 Uani 0.0141(2) 4 1 d . . .
Sb1 Sb 0.33487(9) 0.32666(7) 0 Uani 0.0116(2) 4 1 d . . .
Sb2 Sb 0.15260(9) 0.09416(7) 0.5 Uani 0.0118(2) 4 1 d . . .
Sb3 Sb 0.02604(8) 0.40457(8) 0.5 Uani 0.0122(3) 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
Eu1 In . 1_554 3.6775(10) ?
Eu1 In . . 3.6775(10) ?
Eu1 Sb1 . 3_545 3.4655(13) ?
Eu1 Sb2 . 1_554 3.3695(10) ?
Eu1 Sb2 . . 3.3695(10) ?
Eu1 Sb3 . 3_545 3.3951(10) ?
Eu1 Sb3 . 3_546 3.3951(10) ?
Eu1 Sb3 . 4_555 3.5764(10) ?
Eu1 Sb3 . 4_556 3.5764(10) ?
Eu2 Eu3 . . 3.7999(10) ?
Eu2 Eu3 . 2_555 3.7999(10) ?
Eu2 Sb1 . 3_545 3.2666(10) ?
Eu2 Sb1 . 4_455 3.2666(10) ?
Eu2 Sb2 . 1_554 3.3021(8) ?
Eu2 Sb2 . . 3.3021(8) ?
Eu2 Sb2 . 2_554 3.3021(8) ?
Eu2 Sb2 . 2_555 3.3021(8) ?
Eu3 In . 1_554 3.8606(12) ?
Eu3 In . . 3.8606(12) ?
Eu3 In . 4_455 3.9940(12) ?
Eu3 In . 4_456 3.9940(12) ?
Eu3 Sb1 . . 3.2992(14) ?
Eu3 Sb1 . 4_455 3.3458(14) ?
Eu3 Sb2 . 1_554 3.3430(11) ?
Eu3 Sb2 . . 3.3430(11) ?
Eu3 Sb3 . 1_554 3.3289(11) ?
Eu3 Sb3 . . 3.3289(11) ?
In Sb1 . . 2.8358(8) ?
In Sb1 . 1_556 2.8358(8) ?
In Sb2 . . 2.8377(16) ?
In Sb3 . 4_556 3.0030(16) ?
Sb3 Sb3 . 2_565 2.8608(16) ?

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
In Eu1 In 1_554 . . 78.11(2) ?
In Eu1 Sb1 1_554 . 3_545 129.46(3) ?
In Eu1 Sb2 1_554 . 1_554 47.24(3) ?
In Eu1 Sb2 1_554 . . 100.82(3) ?
In Eu1 Sb3 1_554 . 3_545 86.93(2) ?
In Eu1 Sb3 1_554 . 3_546 143.75(4) ?
In Eu1 Sb3 1_554 . 4_555 48.89(3) ?
In Eu1 Sb3 1_554 . 4_556 99.14(3) ?
In Eu1 Sb1 . . 3_545 129.46(3) ?
In Eu1 Sb2 . . 1_554 100.82(3) ?
In Eu1 Sb2 . . . 47.24(3) ?
In Eu1 Sb3 . . 3_545 143.75(4) ?
In Eu1 Sb3 . . 3_546 86.93(2) ?
In Eu1 Sb3 . . 4_555 99.14(3) ?
In Eu1 Sb3 . . 4_556 48.89(3) ?
Sb1 Eu1 Sb2 3_545 . 1_554 83.30(3) ?
Sb1 Eu1 Sb2 3_545 . . 83.30(3) ?
Sb1 Eu1 Sb3 3_545 . 3_545 85.27(3) ?
Sb1 Eu1 Sb3 3_545 . 3_546 85.27(3) ?
Sb1 Eu1 Sb3 3_545 . 4_555 131.28(2) ?
Sb1 Eu1 Sb3 3_545 . 4_556 131.28(2) ?
Sb2 Eu1 Sb2 1_554 . . 86.89(3) ?
Sb2 Eu1 Sb3 1_554 . 3_545 92.375(18) ?
Sb2 Eu1 Sb3 1_554 . 3_546 168.55(4) ?
Sb2 Eu1 Sb3 1_554 . 4_555 84.51(2) ?
Sb2 Eu1 Sb3 1_554 . 4_556 142.69(4) ?
Sb2 Eu1 Sb3 . . 3_545 168.55(4) ?
Sb2 Eu1 Sb3 . . 3_546 92.375(18) ?
Sb2 Eu1 Sb3 . . 4_555 142.69(4) ?
Sb2 Eu1 Sb3 . . 4_556 84.51(2) ?
Sb3 Eu1 Sb3 3_545 . 3_546 86.08(3) ?
Sb3 Eu1 Sb3 3_545 . 4_555 48.37(3) ?
Sb3 Eu1 Sb3 3_545 . 4_556 102.71(3) ?
Sb3 Eu1 Sb3 3_546 . 4_555 102.71(3) ?
Sb3 Eu1 Sb3 3_546 . 4_556 48.37(3) ?
Sb3 Eu1 Sb3 4_555 . 4_556 80.77(2) ?
Eu3 Eu2 Eu3 . . 2_555 180 ?
Eu3 Eu2 Sb1 . . 3_545 124.09(2) ?
Eu3 Eu2 Sb1 . . 4_455 55.91(2) ?
Eu3 Eu2 Sb2 . . 1_554 55.629(18) ?
Eu3 Eu2 Sb2 . . . 55.629(18) ?
Eu3 Eu2 Sb2 . . 2_554 124.371(18) ?
Eu3 Eu2 Sb2 . . 2_555 124.371(18) ?
Eu3 Eu2 Sb1 2_555 . 3_545 55.91(2) ?
Eu3 Eu2 Sb1 2_555 . 4_455 124.09(2) ?
Eu3 Eu2 Sb2 2_555 . 1_554 124.371(18) ?
Eu3 Eu2 Sb2 2_555 . . 124.371(18) ?
Eu3 Eu2 Sb2 2_555 . 2_554 55.629(18) ?
Eu3 Eu2 Sb2 2_555 . 2_555 55.629(18) ?
Sb1 Eu2 Sb1 3_545 . 4_455 180 ?
Sb1 Eu2 Sb2 3_545 . 1_554 87.51(2) ?
Sb1 Eu2 Sb2 3_545 . . 87.51(2) ?
Sb1 Eu2 Sb2 3_545 . 2_554 92.49(2) ?
Sb1 Eu2 Sb2 3_545 . 2_555 92.49(2) ?
Sb1 Eu2 Sb2 4_455 . 1_554 92.49(2) ?
Sb1 Eu2 Sb2 4_455 . . 92.49(2) ?
Sb1 Eu2 Sb2 4_455 . 2_554 87.51(2) ?
Sb1 Eu2 Sb2 4_455 . 2_555 87.51(2) ?
Sb2 Eu2 Sb2 1_554 . . 89.129(19) ?
Sb2 Eu2 Sb2 1_554 . 2_554 90.871(19) ?
Sb2 Eu2 Sb2 1_554 . 2_555 180 ?
Sb2 Eu2 Sb2 . . 2_554 180 ?
Sb2 Eu2 Sb2 . . 2_555 90.871(19) ?
Sb2 Eu2 Sb2 2_554 . 2_555 89.129(19) ?
Eu2 Eu3 In . . 1_554 95.78(3) ?
Eu2 Eu3 In . . . 95.78(3) ?
Eu2 Eu3 In . . 4_455 83.97(2) ?
Eu2 Eu3 In . . 4_456 83.97(2) ?
Eu2 Eu3 Sb1 . . . 126.65(3) ?
Eu2 Eu3 Sb1 . . 4_455 53.95(2) ?
Eu2 Eu3 Sb2 . . 1_554 54.62(2) ?
Eu2 Eu3 Sb2 . . . 54.62(2) ?
Eu2 Eu3 Sb3 . . 1_554 125.87(2) ?
Eu2 Eu3 Sb3 . . . 125.87(2) ?
In Eu3 In 1_554 . . 73.77(2) ?
In Eu3 In 1_554 . 4_455 107.654(15) ?
In Eu3 In 1_554 . 4_456 178.57(2) ?
In Eu3 Sb1 1_554 . . 45.838(19) ?
In Eu3 Sb1 1_554 . 4_455 134.49(2) ?
In Eu3 Sb2 1_554 . 1_554 45.70(3) ?
In Eu3 Sb2 1_554 . . 97.68(3) ?
In Eu3 Sb3 1_554 . 1_554 81.52(2) ?
In Eu3 Sb3 1_554 . . 133.48(4) ?
In Eu3 In . . 4_455 178.57(2) ?
In Eu3 In . . 4_456 107.654(15) ?
In Eu3 Sb1 . . . 45.838(19) ?
In Eu3 Sb1 . . 4_455 134.49(2) ?
In Eu3 Sb2 . . 1_554 97.68(3) ?
In Eu3 Sb2 . . . 45.70(3) ?
In Eu3 Sb3 . . 1_554 133.48(4) ?
In Eu3 Sb3 . . . 81.52(2) ?
In Eu3 In 4_455 . 4_456 70.92(2) ?
In Eu3 Sb1 4_455 . . 135.29(3) ?
In Eu3 Sb1 4_455 . 4_455 44.371(18) ?
In Eu3 Sb2 4_455 . 1_554 83.33(2) ?
In Eu3 Sb2 4_455 . . 133.48(4) ?
In Eu3 Sb3 4_455 . 1_554 47.35(2) ?
In Eu3 Sb3 4_455 . . 97.48(3) ?
In Eu3 Sb1 4_456 . . 135.29(3) ?
In Eu3 Sb1 4_456 . 4_455 44.371(18) ?
In Eu3 Sb2 4_456 . 1_554 133.48(4) ?
In Eu3 Sb2 4_456 . . 83.33(2) ?
In Eu3 Sb3 4_456 . 1_554 97.48(3) ?
In Eu3 Sb3 4_456 . . 47.35(2) ?
Sb1 Eu3 Sb1 . . 4_455 179.40(4) ?
Sb1 Eu3 Sb2 . . 1_554 90.07(3) ?
Sb1 Eu3 Sb2 . . . 90.07(3) ?
Sb1 Eu3 Sb3 . . 1_554 89.04(3) ?
Sb1 Eu3 Sb3 . . . 89.04(3) ?
Sb1 Eu3 Sb2 4_455 . 1_554 90.37(3) ?
Sb1 Eu3 Sb2 4_455 . . 90.37(3) ?
Sb1 Eu3 Sb3 4_455 . 1_554 90.53(3) ?
Sb1 Eu3 Sb3 4_455 . . 90.53(3) ?
Sb2 Eu3 Sb2 1_554 . . 87.76(3) ?
Sb2 Eu3 Sb3 1_554 . 1_554 92.001(19) ?
Sb2 Eu3 Sb3 1_554 . . 179.07(4) ?
Sb2 Eu3 Sb3 . . 1_554 179.07(4) ?
Sb2 Eu3 Sb3 . . . 92.001(19) ?
Sb3 Eu3 Sb3 1_554 . . 88.23(3) ?
Eu1 In Eu1 . . 1_556 78.11(2) ?
Eu1 In Eu3 . . . 73.46(2) ?
Eu1 In Eu3 . . 1_556 118.14(4) ?
Eu1 In Eu3 . . 4_555 75.21(2) ?
Eu1 In Eu3 . . 4_556 118.42(4) ?
Eu1 In Sb1 . . . 86.141(19) ?
Eu1 In Sb1 . . 1_556 164.24(3) ?
Eu1 In Sb2 . . . 60.67(3) ?
Eu1 In Sb3 . . 4_556 63.80(3) ?
Eu1 In Eu3 1_556 . . 118.14(4) ?
Eu1 In Eu3 1_556 . 1_556 73.46(2) ?
Eu1 In Eu3 1_556 . 4_555 118.42(4) ?
Eu1 In Eu3 1_556 . 4_556 75.21(2) ?
Eu1 In Sb1 1_556 . . 164.24(3) ?
Eu1 In Sb1 1_556 . 1_556 86.141(19) ?
Eu1 In Sb2 1_556 . . 60.67(3) ?
Eu1 In Sb3 1_556 . 4_556 63.80(3) ?
Eu3 In Eu3 . . 1_556 73.77(2) ?
Eu3 In Eu3 . . 4_555 105.597(12) ?
Eu3 In Eu3 . . 4_556 164.86(4) ?
Eu3 In Sb1 . . . 56.58(3) ?
Eu3 In Sb1 . . 1_556 115.47(4) ?
Eu3 In Sb2 . . . 57.47(3) ?
Eu3 In Sb3 . . 4_556 135.97(2) ?
Eu3 In Eu3 1_556 . 4_555 164.86(4) ?
Eu3 In Eu3 1_556 . 4_556 105.597(12) ?
Eu3 In Sb1 1_556 . . 115.47(4) ?
Eu3 In Sb1 1_556 . 1_556 56.58(3) ?
Eu3 In Sb2 1_556 . . 57.47(3) ?
Eu3 In Sb3 1_556 . 4_556 135.97(2) ?
Eu3 In Eu3 4_555 . 4_556 70.92(2) ?
Eu3 In Sb1 4_555 . . 55.59(3) ?
Eu3 In Sb1 4_555 . 1_556 112.52(4) ?
Eu3 In Sb2 4_555 . . 135.40(3) ?
Eu3 In Sb3 4_555 . 4_556 54.62(3) ?
Eu3 In Sb1 4_556 . . 112.52(4) ?
Eu3 In Sb1 4_556 . 1_556 55.59(3) ?
Eu3 In Sb2 4_556 . . 135.40(3) ?
Eu3 In Sb3 4_556 . 4_556 54.62(3) ?
Sb1 In Sb1 . . 1_556 109.59(4) ?
Sb1 In Sb2 . . . 111.86(4) ?
Sb1 In Sb3 . . 4_556 108.56(4) ?
Sb1 In Sb2 1_556 . . 111.86(4) ?
Sb1 In Sb3 1_556 . 4_556 108.56(4) ?
Sb2 In Sb3 . . 4_556 106.24(4) ?
Eu1 Sb1 Eu2 3_555 . 3_555 75.11(2) ?
Eu1 Sb1 Eu3 3_555 . . 74.12(3) ?
Eu1 Sb1 Eu3 3_555 . 4_555 145.24(4) ?
Eu1 Sb1 In 3_555 . 1_554 117.11(3) ?
Eu1 Sb1 In 3_555 . . 117.11(3) ?
Eu2 Sb1 Eu3 3_555 . . 149.22(4) ?
Eu2 Sb1 Eu3 3_555 . 4_555 70.14(3) ?
Eu2 Sb1 In 3_555 . 1_554 117.28(3) ?
Eu2 Sb1 In 3_555 . . 117.28(3) ?
Eu3 Sb1 Eu3 . . 4_555 140.64(4) ?
Eu3 Sb1 In . . 1_554 77.59(3) ?
Eu3 Sb1 In . . . 77.59(3) ?
Eu3 Sb1 In 4_555 . 1_554 80.03(3) ?
Eu3 Sb1 In 4_555 . . 80.03(3) ?
In Sb1 In 1_554 . . 109.59(4) ?
Eu1 Sb2 Eu1 . . 1_556 86.89(3) ?
Eu1 Sb2 Eu2 . . . 75.964(16) ?
Eu1 Sb2 Eu2 . . 1_556 136.27(4) ?
Eu1 Sb2 Eu3 . . . 84.430(18) ?
Eu1 Sb2 Eu3 . . 1_556 148.90(4) ?
Eu1 Sb2 In . . . 72.08(3) ?
Eu1 Sb2 Eu2 1_556 . . 136.27(4) ?
Eu1 Sb2 Eu2 1_556 . 1_556 75.964(16) ?
Eu1 Sb2 Eu3 1_556 . . 148.90(4) ?
Eu1 Sb2 Eu3 1_556 . 1_556 84.430(18) ?
Eu1 Sb2 In 1_556 . . 72.08(3) ?
Eu2 Sb2 Eu2 . . 1_556 89.13(3) ?
Eu2 Sb2 Eu3 . . . 69.752(19) ?
Eu2 Sb2 Eu3 . . 1_556 128.81(4) ?
Eu2 Sb2 In . . . 135.377(13) ?
Eu2 Sb2 Eu3 1_556 . . 128.81(4) ?
Eu2 Sb2 Eu3 1_556 . 1_556 69.752(19) ?
Eu2 Sb2 In 1_556 . . 135.377(13) ?
Eu3 Sb2 Eu3 . . 1_556 87.76(3) ?
Eu3 Sb2 In . . . 76.83(3) ?
Eu3 Sb2 In 1_556 . . 76.83(3) ?
Eu1 Sb3 Eu1 3_555 . 3_556 86.08(3) ?
Eu1 Sb3 Eu1 3_555 . 4_455 77.29(2) ?
Eu1 Sb3 Eu1 3_555 . 4_456 131.63(4) ?
Eu1 Sb3 Eu3 3_555 . . 74.68(2) ?
Eu1 Sb3 Eu3 3_555 . 1_556 133.31(4) ?
Eu1 Sb3 In 3_555 . 4_456 136.518(16) ?
Eu1 Sb3 Sb3 3_555 . 2_565 69.13(3) ?
Eu1 Sb3 Eu1 3_556 . 4_455 131.63(4) ?
Eu1 Sb3 Eu1 3_556 . 4_456 77.29(2) ?
Eu1 Sb3 Eu3 3_556 . . 133.31(4) ?
Eu1 Sb3 Eu3 3_556 . 1_556 74.68(2) ?
Eu1 Sb3 In 3_556 . 4_456 136.518(16) ?
Eu1 Sb3 Sb3 3_556 . 2_565 69.13(3) ?
Eu1 Sb3 Eu1 4_455 . 4_456 80.77(2) ?
Eu1 Sb3 Eu3 4_455 . . 85.440(18) ?
Eu1 Sb3 Eu3 4_455 . 1_556 145.33(4) ?
Eu1 Sb3 In 4_455 . 4_456 67.31(3) ?
Eu1 Sb3 Sb3 4_455 . 2_565 62.50(3) ?
Eu1 Sb3 Eu3 4_456 . . 145.33(4) ?
Eu1 Sb3 Eu3 4_456 . 1_556 85.440(18) ?
Eu1 Sb3 In 4_456 . 4_456 67.31(3) ?
Eu1 Sb3 Sb3 4_456 . 2_565 62.50(3) ?
Eu3 Sb3 Eu3 . . 1_556 88.23(3) ?
Eu3 Sb3 In . . 4_456 78.03(3) ?
Eu3 Sb3 Sb3 . . 2_565 135.618(19) ?
Eu3 Sb3 In 1_556 . 4_456 78.03(3) ?
Eu3 Sb3 Sb3 1_556 . 2_565 135.618(19) ?
In Sb3 Sb3 4_456 . 2_565 112.27(4) ?

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
? ? ? ? ? ? ? ? ? ? ?


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

# 11. STRUCTURE-FACTOR LIST



