# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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. 
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data_HY0003_180703_0m
_audit_block_doi                 10.25505/fiz.icsd.cc27y07g
_database_code_depnum_ccdc_archive 'CCDC 2083455'
loop_
_audit_author_name
_audit_author_address
'Hayeon Sa'
;Chungbuk National University
South Korea
;
_audit_update_record             
;
2021-06-14 deposited with the CCDC.	2021-09-07 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT213_HY0003_180703_0m    
;
PROBLEM: Atom Gd3             has ADP max/min Ratio .....        4.2 prolat
RESPONSE: This relatively large ADP value on Gd3 is due to the slight dislocation of Gd3/Ca3, and it is known as an intrinsic structural feature of the Ho11Ge10-type structure.  
;
# Added during the CSD deposition process: Monday 14 June 2021 01:00 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2013
_chemical_name_systematic        Ca10.42(4)Gd0.58Sb9.69(1)
_chemical_name_common            .
_chemical_melting_point          .
_chemical_formula_moiety         'Ca10.42 Gd0.58 Sb9.69'
_chemical_formula_sum            'Ca10.42 Gd0.58 Sb9.69'
_chemical_formula_weight         1688.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           139
_space_group_name_H-M_alt        'I 4/m m m'
_space_group_name_Hall           '-I 4 2'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -z'
'y, x, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'

_cell_length_a                   11.9737(6)
_cell_length_b                   11.9737(6)
_cell_length_c                   17.3326(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2485.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    860
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            silver
_exptl_crystal_density_meas      4.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    4.514
_exptl_crystal_F_000             2959
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    14.014
_shelx_estimated_absorpt_T_min   .
_shelx_estimated_absorpt_T_max   .
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5349
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   .

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10699
_diffrn_reflns_av_unetI/netI     0.0436
_diffrn_reflns_av_R_equivalents  0.1110
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.350
_diffrn_reflns_theta_max         27.479
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             860
_reflns_number_gt                638
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0195P)²+32.9340P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         860
_refine_ls_number_parameters     43
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0329
_refine_ls_wR_factor_ref         0.0655
_refine_ls_wR_factor_gt          0.0570
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca1 Ca 0.0000 0.25169(17) 0.31094(13) 0.0216(8) Uani 0.980(4) 2 d S T P . .
Gd1 Gd 0.0000 0.25169(17) 0.31094(13) 0.0216(8) Uani 0.020(4) 2 d S T P . .
Ca2 Ca 0.0000 0.33726(14) 0.10201(9) 0.0210(6) Uani 0.889(3) 2 d S T P . .
Gd2 Gd 0.0000 0.33726(14) 0.10201(9) 0.0210(6) Uani 0.111(3) 2 d S T P . .
Ca3 Ca 0.3337(4) 0.3337(4) 0.0000 0.097(3) Uani 0.972(7) 4 d S T P . .
Gd3 Gd 0.3337(4) 0.3337(4) 0.0000 0.097(3) Uani 0.028(7) 4 d S T P . .
Ca4 Ca 0.0000 0.0000 0.1607(3) 0.0228(10) Uani 1 8 d S T P . .
Sb1 Sb 0.20673(5) 0.20673(5) 0.17584(4) 0.0231(2) Uani 1 2 d S T P . .
Sb2 Sb 0.15343(8) 0.5000 0.0000 0.0199(3) Uani 1 4 d S T P . .
Sb3 Sb 0.12758(14) 0.12758(14) 0.0000 0.0686(9) Uani 0.846(6) 4 d S T P . .
Sb4 Sb 0.0000 0.0000 0.36692(9) 0.0190(4) Uani 1 8 d S T P . .
Sb5 Sb 0.0000 0.5000 0.2500 0.0148(3) Uani 1 8 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ca1 Sb5 3.155(2) . ?
Ca1 Sb4 3.166(2) . ?
Ca1 Sb1 3.4497(16) . ?
Ca1 Sb1 3.4498(16) 3 ?
Ca1 Sb2 3.468(2) 27_455 ?
Ca1 Sb1 3.5540(7) 25 ?
Ca1 Sb1 3.5540(7) 27_455 ?
Ca1 Ca2 3.763(3) . ?
Ca1 Gd2 3.862(2) 28 ?
Ca1 Ca2 3.862(2) 28 ?
Ca1 Ca2 3.862(2) 27_455 ?
Ca2 Sb1 3.1949(11) 3 ?
Ca2 Sb1 3.1949(11) . ?
Ca2 Sb2 3.2091(14) . ?
Ca2 Sb2 3.2091(14) 17_565 ?
Ca2 Sb5 3.2212(17) . ?
Ca2 Sb3 3.4298(16) 3 ?
Ca2 Sb3 3.4298(16) . ?
Ca2 Gd2 3.536(3) 18 ?
Ca2 Ca2 3.536(3) 18 ?
Ca2 Ca1 3.862(2) 28 ?
Ca3 Sb2 2.9366(8) 3_655 ?
Ca3 Sb2 2.9366(8) . ?
Ca3 Sb3 3.489(8) . ?
Ca3 Sb4 3.641(6) 25 ?
Ca3 Sb4 3.641(6) 9_554 ?
Ca3 Sb1 3.729(4) 18 ?
Ca3 Sb1 3.729(4) . ?
Ca3 Ca1 3.969(2) 25 ?
Ca3 Ca1 3.969(2) 28 ?
Ca3 Gd1 3.969(2) 25 ?
Ca3 Gd1 3.969(2) 28 ?
Ca3 Ca1 3.969(2) 11_554 ?
Ca4 Sb1 3.5104(9) 2 ?
Ca4 Sb1 3.5104(9) 4 ?
Ca4 Sb1 3.5104(9) 3 ?
Ca4 Sb1 3.5105(9) . ?
Ca4 Sb3 3.526(4) . ?
Ca4 Sb3 3.526(4) 17 ?
Ca4 Sb3 3.526(4) 19 ?
Ca4 Sb3 3.526(4) 3 ?
Ca4 Sb4 3.574(5) . ?
Ca4 Gd1 3.982(4) 4 ?
Ca4 Ca1 3.982(4) 4 ?
Ca4 Ca1 3.982(4) 3 ?
Sb1 Sb1 2.9592(16) 25 ?
Sb1 Gd2 3.1949(11) 4 ?
Sb1 Ca2 3.1949(11) 4 ?
Sb1 Gd1 3.4497(16) 4 ?
Sb1 Ca1 3.4497(16) 4 ?
Sb1 Ca1 3.5540(7) 28 ?
Sb1 Gd1 3.5540(7) 28 ?
Sb2 Gd3 2.9366(8) 19_565 ?
Sb2 Ca3 2.9366(8) 19_565 ?
Sb2 Gd2 3.2091(14) 18 ?
Sb2 Ca2 3.2091(14) 18 ?
Sb2 Gd2 3.2091(14) 2_565 ?
Sb2 Ca2 3.2091(14) 2_565 ?
Sb2 Ca2 3.2091(14) 17_565 ?
Sb2 Gd2 3.2091(14) 17_565 ?
Sb3 Sb3 3.055(3) 19 ?
Sb3 Sb3 3.055(3) 3 ?
Sb3 Gd2 3.4298(16) 4 ?
Sb3 Ca2 3.4298(16) 4 ?
Sb3 Gd2 3.4298(16) 19 ?
Sb3 Ca2 3.4298(16) 19 ?
Sb3 Ca2 3.4298(16) 18 ?
Sb3 Gd2 3.4298(16) 18 ?
Sb4 Gd1 3.166(2) 3 ?
Sb4 Gd1 3.166(2) 2 ?
Sb4 Ca1 3.166(2) 2 ?
Sb4 Ca1 3.166(2) 3 ?
Sb4 Gd1 3.166(2) 4 ?
Sb4 Ca1 3.166(2) 4 ?
Sb4 Gd3 3.641(6) 25 ?
Sb4 Ca3 3.641(6) 25 ?
Sb4 Gd3 3.641(6) 27_455 ?
Sb5 Gd1 3.155(2) 27_455 ?
Sb5 Gd1 3.155(2) 2_565 ?
Sb5 Ca1 3.155(2) 27_455 ?
Sb5 Ca1 3.155(2) 2_565 ?
Sb5 Gd1 3.155(2) 28 ?
Sb5 Ca1 3.155(2) 28 ?
Sb5 Gd2 3.2212(17) 28 ?
Sb5 Ca2 3.2212(17) 28 ?
Sb5 Gd2 3.2212(17) 27_455 ?
Sb5 Ca2 3.2212(17) 2_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Sb5 Ca1 Sb4 178.29(8) . . ?
Sb5 Ca1 Sb1 85.40(4) . . ?
Sb4 Ca1 Sb1 93.41(5) . . ?
Sb5 Ca1 Sb1 85.40(4) . 3 ?
Sb4 Ca1 Sb1 93.41(5) . 3 ?
Sb1 Ca1 Sb1 91.71(6) . 3 ?
Sb5 Ca1 Sb2 90.44(5) . 27_455 ?
Sb4 Ca1 Sb2 91.27(6) . 27_455 ?
Sb1 Ca1 Sb2 133.83(3) . 27_455 ?
Sb1 Ca1 Sb2 133.83(3) 3 27_455 ?
Sb5 Ca1 Sb1 83.66(3) . 25 ?
Sb4 Ca1 Sb1 96.52(3) . 25 ?
Sb1 Ca1 Sb1 49.96(3) . 25 ?
Sb1 Ca1 Sb1 140.77(6) 3 25 ?
Sb2 Ca1 Sb1 83.87(4) 27_455 25 ?
Sb5 Ca1 Sb1 83.66(3) . 27_455 ?
Sb4 Ca1 Sb1 96.52(3) . 27_455 ?
Sb1 Ca1 Sb1 140.77(6) . 27_455 ?
Sb1 Ca1 Sb1 49.96(3) 3 27_455 ?
Sb2 Ca1 Sb1 83.87(4) 27_455 27_455 ?
Sb1 Ca1 Sb1 162.26(7) 25 27_455 ?
Sb5 Ca1 Ca2 54.64(4) . . ?
Sb4 Ca1 Ca2 123.65(7) . . ?
Sb1 Ca1 Ca2 52.36(3) . . ?
Sb1 Ca1 Ca2 52.36(3) 3 . ?
Sb2 Ca1 Ca2 145.08(7) 27_455 . ?
Sb1 Ca1 Ca2 91.37(4) 25 . ?
Sb1 Ca1 Ca2 91.37(4) 27_455 . ?
Sb5 Ca1 Gd2 53.51(3) . 28 ?
Sb4 Ca1 Gd2 127.81(6) . 28 ?
Sb1 Ca1 Gd2 91.33(4) . 28 ?
Sb1 Ca1 Gd2 138.37(6) 3 28 ?
Sb2 Ca1 Gd2 51.59(4) 27_455 28 ?
Sb1 Ca1 Gd2 50.83(3) 25 28 ?
Sb1 Ca1 Gd2 111.44(5) 27_455 28 ?
Ca2 Ca1 Gd2 99.58(5) . 28 ?
Sb5 Ca1 Ca2 53.51(3) . 28 ?
Sb4 Ca1 Ca2 127.81(6) . 28 ?
Sb1 Ca1 Ca2 91.33(4) . 28 ?
Sb1 Ca1 Ca2 138.37(6) 3 28 ?
Sb2 Ca1 Ca2 51.59(4) 27_455 28 ?
Sb1 Ca1 Ca2 50.83(3) 25 28 ?
Sb1 Ca1 Ca2 111.44(5) 27_455 28 ?
Ca2 Ca1 Ca2 99.58(5) . 28 ?
Gd2 Ca1 Ca2 0.0 28 28 ?
Sb5 Ca1 Ca2 53.51(3) . 27_455 ?
Sb4 Ca1 Ca2 127.81(6) . 27_455 ?
Sb1 Ca1 Ca2 138.37(6) . 27_455 ?
Sb1 Ca1 Ca2 91.33(4) 3 27_455 ?
Sb2 Ca1 Ca2 51.59(4) 27_455 27_455 ?
Sb1 Ca1 Ca2 111.44(5) 25 27_455 ?
Sb1 Ca1 Ca2 50.83(3) 27_455 27_455 ?
Ca2 Ca1 Ca2 99.58(5) . 27_455 ?
Gd2 Ca1 Ca2 60.61(5) 28 27_455 ?
Ca2 Ca1 Ca2 60.61(5) 28 27_455 ?
Sb1 Ca2 Sb1 101.57(5) 3 . ?
Sb1 Ca2 Sb2 164.00(4) 3 . ?
Sb1 Ca2 Sb2 94.25(2) . . ?
Sb1 Ca2 Sb2 94.25(2) 3 17_565 ?
Sb1 Ca2 Sb2 164.00(4) . 17_565 ?
Sb2 Ca2 Sb2 69.85(4) . 17_565 ?
Sb1 Ca2 Sb5 88.68(4) 3 . ?
Sb1 Ca2 Sb5 88.68(4) . . ?
Sb2 Ca2 Sb5 94.10(4) . . ?
Sb2 Ca2 Sb5 94.10(4) 17_565 . ?
Sb1 Ca2 Sb3 60.22(3) 3 3 ?
Sb1 Ca2 Sb3 101.16(6) . 3 ?
Sb2 Ca2 Sb3 114.55(5) . 3 ?
Sb2 Ca2 Sb3 84.57(4) 17_565 3 ?
Sb5 Ca2 Sb3 148.57(4) . 3 ?
Sb1 Ca2 Sb3 101.16(6) 3 . ?
Sb1 Ca2 Sb3 60.22(3) . . ?
Sb2 Ca2 Sb3 84.57(4) . . ?
Sb2 Ca2 Sb3 114.55(5) 17_565 . ?
Sb5 Ca2 Sb3 148.57(4) . . ?
Sb3 Ca2 Sb3 52.90(7) 3 . ?
Sb1 Ca2 Gd2 113.61(3) 3 18 ?
Sb1 Ca2 Gd2 113.61(3) . 18 ?
Sb2 Ca2 Gd2 56.57(3) . 18 ?
Sb2 Ca2 Gd2 56.57(3) 17_565 18 ?
Sb5 Ca2 Gd2 142.78(3) . 18 ?
Sb3 Ca2 Gd2 58.97(3) 3 18 ?
Sb3 Ca2 Gd2 58.97(3) . 18 ?
Sb1 Ca2 Ca2 113.61(3) 3 18 ?
Sb1 Ca2 Ca2 113.61(3) . 18 ?
Sb2 Ca2 Ca2 56.57(3) . 18 ?
Sb2 Ca2 Ca2 56.57(3) 17_565 18 ?
Sb5 Ca2 Ca2 142.78(3) . 18 ?
Sb3 Ca2 Ca2 58.97(3) 3 18 ?
Sb3 Ca2 Ca2 58.97(3) . 18 ?
Gd2 Ca2 Ca2 0.00(5) 18 18 ?
Sb1 Ca2 Ca1 58.76(3) 3 . ?
Sb1 Ca2 Ca1 58.76(3) . . ?
Sb2 Ca2 Ca1 134.06(4) . . ?
Sb2 Ca2 Ca1 134.06(4) 17_565 . ?
Sb5 Ca2 Ca1 53.02(4) . . ?
Sb3 Ca2 Ca1 107.26(5) 3 . ?
Sb3 Ca2 Ca1 107.26(5) . . ?
Gd2 Ca2 Ca1 164.20(4) 18 . ?
Ca2 Ca2 Ca1 164.20(4) 18 . ?
Sb1 Ca2 Ca1 133.38(6) 3 28 ?
Sb1 Ca2 Ca1 59.59(2) . 28 ?
Sb2 Ca2 Ca1 57.87(4) . 28 ?
Sb2 Ca2 Ca1 110.47(5) 17_565 28 ?
Sb5 Ca2 Ca1 51.95(3) . 28 ?
Sb3 Ca2 Ca1 156.02(5) 3 28 ?
Sb3 Ca2 Ca1 103.17(4) . 28 ?
Gd2 Ca2 Ca1 113.00(4) 18 28 ?
Ca2 Ca2 Ca1 113.00(4) 18 28 ?
Ca1 Ca2 Ca1 76.20(4) . 28 ?
Sb2 Ca3 Sb2 175.4(3) 3_655 . ?
Sb2 Ca3 Sb3 87.71(15) 3_655 . ?
Sb2 Ca3 Sb3 87.71(15) . . ?
Sb2 Ca3 Sb4 91.77(11) 3_655 25 ?
Sb2 Ca3 Sb4 91.77(11) . 25 ?
Sb3 Ca3 Sb4 140.69(8) . 25 ?
Sb2 Ca3 Sb4 91.77(11) 3_655 9_554 ?
Sb2 Ca3 Sb4 91.77(11) . 9_554 ?
Sb3 Ca3 Sb4 140.69(8) . 9_554 ?
Sb4 Ca3 Sb4 78.63(16) 25 9_554 ?
Sb2 Ca3 Sb1 88.68(9) 3_655 18 ?
Sb2 Ca3 Sb1 88.68(9) . 18 ?
Sb3 Ca3 Sb1 54.81(10) . 18 ?
Sb4 Ca3 Sb1 164.50(17) 25 18 ?
Sb4 Ca3 Sb1 85.88(3) 9_554 18 ?
Sb2 Ca3 Sb1 88.68(9) 3_655 . ?
Sb2 Ca3 Sb1 88.68(9) . . ?
Sb3 Ca3 Sb1 54.81(10) . . ?
Sb4 Ca3 Sb1 85.88(3) 25 . ?
Sb4 Ca3 Sb1 164.50(17) 9_554 . ?
Sb1 Ca3 Sb1 109.62(19) 18 . ?
Sb2 Ca3 Ca1 58.02(3) 3_655 25 ?
Sb2 Ca3 Ca1 122.92(4) . 25 ?
Sb3 Ca3 Ca1 99.95(11) . 25 ?
Sb4 Ca3 Ca1 48.94(5) 25 25 ?
Sb4 Ca3 Ca1 112.92(16) 9_554 25 ?
Sb1 Ca3 Ca1 140.75(13) 18 25 ?
Sb1 Ca3 Ca1 54.88(3) . 25 ?
Sb2 Ca3 Ca1 122.92(4) 3_655 28 ?
Sb2 Ca3 Ca1 58.02(3) . 28 ?
Sb3 Ca3 Ca1 99.95(11) . 28 ?
Sb4 Ca3 Ca1 48.94(5) 25 28 ?
Sb4 Ca3 Ca1 112.92(16) 9_554 28 ?
Sb1 Ca3 Ca1 140.75(13) 18 28 ?
Sb1 Ca3 Ca1 54.88(3) . 28 ?
Ca1 Ca3 Ca1 64.95(6) 25 28 ?
Sb2 Ca3 Gd1 58.02(3) 3_655 25 ?
Sb2 Ca3 Gd1 122.92(4) . 25 ?
Sb3 Ca3 Gd1 99.95(11) . 25 ?
Sb4 Ca3 Gd1 48.94(5) 25 25 ?
Sb4 Ca3 Gd1 112.92(16) 9_554 25 ?
Sb1 Ca3 Gd1 140.75(13) 18 25 ?
Sb1 Ca3 Gd1 54.88(3) . 25 ?
Ca1 Ca3 Gd1 0.00(7) 25 25 ?
Ca1 Ca3 Gd1 64.95(6) 28 25 ?
Sb2 Ca3 Gd1 122.92(4) 3_655 28 ?
Sb2 Ca3 Gd1 58.02(3) . 28 ?
Sb3 Ca3 Gd1 99.95(11) . 28 ?
Sb4 Ca3 Gd1 48.94(5) 25 28 ?
Sb4 Ca3 Gd1 112.92(16) 9_554 28 ?
Sb1 Ca3 Gd1 140.75(13) 18 28 ?
Sb1 Ca3 Gd1 54.88(3) . 28 ?
Ca1 Ca3 Gd1 64.95(6) 25 28 ?
Ca1 Ca3 Gd1 0.00(7) 28 28 ?
Gd1 Ca3 Gd1 64.95(6) 25 28 ?
Sb2 Ca3 Ca1 122.92(4) 3_655 11_554 ?
Sb2 Ca3 Ca1 58.02(3) . 11_554 ?
Sb3 Ca3 Ca1 99.95(11) . 11_554 ?
Sb4 Ca3 Ca1 112.92(16) 25 11_554 ?
Sb4 Ca3 Ca1 48.94(5) 9_554 11_554 ?
Sb1 Ca3 Ca1 54.89(3) 18 11_554 ?
Sb1 Ca3 Ca1 140.75(13) . 11_554 ?
Ca1 Ca3 Ca1 160.1(2) 25 11_554 ?
Ca1 Ca3 Ca1 111.32(7) 28 11_554 ?
Gd1 Ca3 Ca1 160.1(2) 25 11_554 ?
Gd1 Ca3 Ca1 111.32(7) 28 11_554 ?
Sb1 Ca4 Sb1 89.682(12) 2 4 ?
Sb1 Ca4 Sb1 89.682(12) 2 3 ?
Sb1 Ca4 Sb1 171.46(17) 4 3 ?
Sb1 Ca4 Sb1 171.46(17) 2 . ?
Sb1 Ca4 Sb1 89.682(13) 4 . ?
Sb1 Ca4 Sb1 89.682(13) 3 . ?
Sb1 Ca4 Sb3 132.06(14) 2 . ?
Sb1 Ca4 Sb3 93.37(6) 4 . ?
Sb1 Ca4 Sb3 93.37(6) 3 . ?
Sb1 Ca4 Sb3 56.48(5) . . ?
Sb1 Ca4 Sb3 56.48(5) 2 17 ?
Sb1 Ca4 Sb3 93.37(6) 4 17 ?
Sb1 Ca4 Sb3 93.37(6) 3 17 ?
Sb1 Ca4 Sb3 132.06(14) . 17 ?
Sb3 Ca4 Sb3 75.58(12) . 17 ?
Sb1 Ca4 Sb3 93.37(6) 2 19 ?
Sb1 Ca4 Sb3 56.48(5) 4 19 ?
Sb1 Ca4 Sb3 132.06(14) 3 19 ?
Sb1 Ca4 Sb3 93.38(6) . 19 ?
Sb3 Ca4 Sb3 51.35(7) . 19 ?
Sb3 Ca4 Sb3 51.35(7) 17 19 ?
Sb1 Ca4 Sb3 93.37(6) 2 3 ?
Sb1 Ca4 Sb3 132.06(14) 4 3 ?
Sb1 Ca4 Sb3 56.48(5) 3 3 ?
Sb1 Ca4 Sb3 93.38(6) . 3 ?
Sb3 Ca4 Sb3 51.35(7) . 3 ?
Sb3 Ca4 Sb3 51.35(7) 17 3 ?
Sb3 Ca4 Sb3 75.58(12) 19 3 ?
Sb1 Ca4 Sb4 85.73(8) 2 . ?
Sb1 Ca4 Sb4 85.73(8) 4 . ?
Sb1 Ca4 Sb4 85.73(8) 3 . ?
Sb1 Ca4 Sb4 85.73(8) . . ?
Sb3 Ca4 Sb4 142.21(6) . . ?
Sb3 Ca4 Sb4 142.21(6) 17 . ?
Sb3 Ca4 Sb4 142.21(6) 19 . ?
Sb3 Ca4 Sb4 142.21(6) 3 . ?
Sb1 Ca4 Gd1 119.01(10) 2 4 ?
Sb1 Ca4 Gd1 54.39(4) 4 4 ?
Sb1 Ca4 Gd1 119.01(10) 3 4 ?
Sb1 Ca4 Gd1 54.39(4) . 4 ?
Sb3 Ca4 Gd1 100.88(4) . 4 ?
Sb3 Ca4 Gd1 147.62(4) 17 4 ?
Sb3 Ca4 Gd1 100.87(4) 19 4 ?
Sb3 Ca4 Gd1 147.62(4) 3 4 ?
Sb4 Ca4 Gd1 49.18(6) . 4 ?
Sb1 Ca4 Ca1 119.01(10) 2 4 ?
Sb1 Ca4 Ca1 54.39(4) 4 4 ?
Sb1 Ca4 Ca1 119.01(10) 3 4 ?
Sb1 Ca4 Ca1 54.39(4) . 4 ?
Sb3 Ca4 Ca1 100.88(4) . 4 ?
Sb3 Ca4 Ca1 147.62(4) 17 4 ?
Sb3 Ca4 Ca1 100.87(4) 19 4 ?
Sb3 Ca4 Ca1 147.62(4) 3 4 ?
Sb4 Ca4 Ca1 49.18(6) . 4 ?
Gd1 Ca4 Ca1 0.00(5) 4 4 ?
Sb1 Ca4 Ca1 54.39(4) 2 3 ?
Sb1 Ca4 Ca1 119.01(10) 4 3 ?
Sb1 Ca4 Ca1 54.39(4) 3 3 ?
Sb1 Ca4 Ca1 119.01(10) . 3 ?
Sb3 Ca4 Ca1 147.62(4) . 3 ?
Sb3 Ca4 Ca1 100.87(4) 17 3 ?
Sb3 Ca4 Ca1 147.62(4) 19 3 ?
Sb3 Ca4 Ca1 100.87(4) 3 3 ?
Sb4 Ca4 Ca1 49.18(6) . 3 ?
Gd1 Ca4 Ca1 98.36(13) 4 3 ?
Ca1 Ca4 Ca1 98.36(13) 4 3 ?
Sb1 Sb1 Gd2 116.61(3) 25 4 ?
Sb1 Sb1 Ca2 116.61(3) 25 4 ?
Gd2 Sb1 Ca2 0.00(5) 4 4 ?
Sb1 Sb1 Ca2 116.61(3) 25 . ?
Gd2 Sb1 Ca2 126.70(6) 4 . ?
Ca2 Sb1 Ca2 126.70(6) 4 . ?
Sb1 Sb1 Gd1 66.85(3) 25 4 ?
Gd2 Sb1 Gd1 68.87(4) 4 4 ?
Ca2 Sb1 Gd1 68.87(4) 4 4 ?
Ca2 Sb1 Gd1 138.06(5) . 4 ?
Sb1 Sb1 Ca1 66.85(3) 25 4 ?
Gd2 Sb1 Ca1 68.87(4) 4 4 ?
Ca2 Sb1 Ca1 68.87(4) 4 4 ?
Ca2 Sb1 Ca1 138.06(5) . 4 ?
Gd1 Sb1 Ca1 0.00(8) 4 4 ?
Sb1 Sb1 Ca1 66.85(3) 25 . ?
Gd2 Sb1 Ca1 138.06(5) 4 . ?
Ca2 Sb1 Ca1 138.06(5) 4 . ?
Ca2 Sb1 Ca1 68.87(4) . . ?
Gd1 Sb1 Ca1 76.30(7) 4 . ?
Ca1 Sb1 Ca1 76.30(7) 4 . ?
Sb1 Sb1 Ca4 123.95(9) 25 . ?
Gd2 Sb1 Ca4 76.63(4) 4 . ?
Ca2 Sb1 Ca4 76.63(4) 4 . ?
Ca2 Sb1 Ca4 76.63(4) . . ?
Gd1 Sb1 Ca4 69.80(7) 4 . ?
Ca1 Sb1 Ca4 69.80(7) 4 . ?
Ca1 Sb1 Ca4 69.80(7) . . ?
Sb1 Sb1 Ca1 63.19(4) 25 28 ?
Gd2 Sb1 Ca1 136.29(5) 4 28 ?
Ca2 Sb1 Ca1 136.29(5) 4 28 ?
Ca2 Sb1 Ca1 69.57(4) . 28 ?
Gd1 Sb1 Ca1 130.04(3) 4 28 ?
Ca1 Sb1 Ca1 130.04(3) 4 28 ?
Ca1 Sb1 Ca1 84.41(6) . 28 ?
Ca4 Sb1 Ca1 143.16(3) . 28 ?
Sb1 Sb1 Gd1 63.19(4) 25 28 ?
Gd2 Sb1 Gd1 136.29(5) 4 28 ?
Ca2 Sb1 Gd1 136.29(5) 4 28 ?
Ca2 Sb1 Gd1 69.57(4) . 28 ?
Gd1 Sb1 Gd1 130.04(3) 4 28 ?
Ca1 Sb1 Gd1 130.04(3) 4 28 ?
Ca1 Sb1 Gd1 84.41(6) . 28 ?
Ca4 Sb1 Gd1 143.16(3) . 28 ?
Ca1 Sb1 Gd1 0.00(7) 28 28 ?
Gd3 Sb2 Ca3 0.00(15) 19_565 19_565 ?
Gd3 Sb2 Ca3 85.4(3) 19_565 . ?
Ca3 Sb2 Ca3 85.4(3) 19_565 . ?
Gd3 Sb2 Ca2 146.36(3) 19_565 . ?
Ca3 Sb2 Ca2 146.36(3) 19_565 . ?
Ca3 Sb2 Ca2 90.51(12) . . ?
Gd3 Sb2 Gd2 146.36(3) 19_565 18 ?
Ca3 Sb2 Gd2 146.36(3) 19_565 18 ?
Ca3 Sb2 Gd2 90.51(12) . 18 ?
Ca2 Sb2 Gd2 66.87(6) . 18 ?
Gd3 Sb2 Ca2 146.36(3) 19_565 18 ?
Ca3 Sb2 Ca2 146.36(3) 19_565 18 ?
Ca3 Sb2 Ca2 90.51(12) . 18 ?
Ca2 Sb2 Ca2 66.87(6) . 18 ?
Gd2 Sb2 Ca2 0.00(5) 18 18 ?
Gd3 Sb2 Gd2 90.51(13) 19_565 2_565 ?
Ca3 Sb2 Gd2 90.51(13) 19_565 2_565 ?
Ca3 Sb2 Gd2 146.36(3) . 2_565 ?
Ca2 Sb2 Gd2 74.77(6) . 2_565 ?
Gd2 Sb2 Gd2 110.15(4) 18 2_565 ?
Ca2 Sb2 Gd2 110.15(4) 18 2_565 ?
Gd3 Sb2 Ca2 90.51(13) 19_565 2_565 ?
Ca3 Sb2 Ca2 90.51(13) 19_565 2_565 ?
Ca3 Sb2 Ca2 146.36(3) . 2_565 ?
Ca2 Sb2 Ca2 74.77(6) . 2_565 ?
Gd2 Sb2 Ca2 110.15(4) 18 2_565 ?
Ca2 Sb2 Ca2 110.15(4) 18 2_565 ?
Gd2 Sb2 Ca2 0.0 2_565 2_565 ?
Gd3 Sb2 Ca2 90.51(12) 19_565 17_565 ?
Ca3 Sb2 Ca2 90.51(12) 19_565 17_565 ?
Ca3 Sb2 Ca2 146.36(3) . 17_565 ?
Ca2 Sb2 Ca2 110.15(4) . 17_565 ?
Gd2 Sb2 Ca2 74.77(6) 18 17_565 ?
Ca2 Sb2 Ca2 74.77(6) 18 17_565 ?
Gd2 Sb2 Ca2 66.87(6) 2_565 17_565 ?
Ca2 Sb2 Ca2 66.87(6) 2_565 17_565 ?
Gd3 Sb2 Gd2 90.51(12) 19_565 17_565 ?
Ca3 Sb2 Gd2 90.51(12) 19_565 17_565 ?
Ca3 Sb2 Gd2 146.36(3) . 17_565 ?
Ca2 Sb2 Gd2 110.15(4) . 17_565 ?
Gd2 Sb2 Gd2 74.77(6) 18 17_565 ?
Ca2 Sb2 Gd2 74.77(6) 18 17_565 ?
Gd2 Sb2 Gd2 66.87(6) 2_565 17_565 ?
Ca2 Sb2 Gd2 66.87(6) 2_565 17_565 ?
Ca2 Sb2 Gd2 0.00(5) 17_565 17_565 ?
Sb3 Sb3 Sb3 90.0 19 3 ?
Sb3 Sb3 Ca2 137.06(4) 19 . ?
Sb3 Sb3 Ca2 63.55(4) 3 . ?
Sb3 Sb3 Gd2 63.55(4) 19 4 ?
Sb3 Sb3 Gd2 137.06(4) 3 4 ?
Ca2 Sb3 Gd2 112.73(5) . 4 ?
Sb3 Sb3 Ca2 63.55(4) 19 4 ?
Sb3 Sb3 Ca2 137.06(4) 3 4 ?
Ca2 Sb3 Ca2 112.73(5) . 4 ?
Gd2 Sb3 Ca2 0.00(6) 4 4 ?
Sb3 Sb3 Gd2 63.55(4) 19 19 ?
Sb3 Sb3 Gd2 137.06(4) 3 19 ?
Ca2 Sb3 Gd2 156.61(8) . 19 ?
Gd2 Sb3 Gd2 62.07(5) 4 19 ?
Ca2 Sb3 Gd2 62.07(5) 4 19 ?
Sb3 Sb3 Ca2 63.55(4) 19 19 ?
Sb3 Sb3 Ca2 137.06(4) 3 19 ?
Ca2 Sb3 Ca2 156.61(8) . 19 ?
Gd2 Sb3 Ca2 62.07(5) 4 19 ?
Ca2 Sb3 Ca2 62.07(5) 4 19 ?
Gd2 Sb3 Ca2 0.00(5) 19 19 ?
Sb3 Sb3 Ca2 137.06(4) 19 18 ?
Sb3 Sb3 Ca2 63.55(4) 3 18 ?
Ca2 Sb3 Ca2 62.06(5) . 18 ?
Gd2 Sb3 Ca2 156.61(8) 4 18 ?
Ca2 Sb3 Ca2 156.61(8) 4 18 ?
Gd2 Sb3 Ca2 112.73(5) 19 18 ?
Ca2 Sb3 Ca2 112.73(5) 19 18 ?
Sb3 Sb3 Gd2 137.06(4) 19 18 ?
Sb3 Sb3 Gd2 63.55(4) 3 18 ?
Ca2 Sb3 Gd2 62.06(5) . 18 ?
Gd2 Sb3 Gd2 156.61(8) 4 18 ?
Ca2 Sb3 Gd2 156.61(8) 4 18 ?
Gd2 Sb3 Gd2 112.73(5) 19 18 ?
Ca2 Sb3 Gd2 112.73(5) 19 18 ?
Ca2 Sb3 Gd2 0.00(5) 18 18 ?
Sb3 Sb3 Ca3 135.0 19 . ?
Sb3 Sb3 Ca3 135.0 3 . ?
Ca2 Sb3 Ca3 78.31(4) . . ?
Gd2 Sb3 Ca3 78.31(4) 4 . ?
Ca2 Sb3 Ca3 78.31(4) 4 . ?
Gd2 Sb3 Ca3 78.31(4) 19 . ?
Ca2 Sb3 Ca3 78.31(4) 19 . ?
Ca2 Sb3 Ca3 78.31(4) 18 . ?
Gd2 Sb3 Ca3 78.31(4) 18 . ?
Ca1 Sb4 Gd1 84.61(3) . 3 ?
Ca1 Sb4 Gd1 144.30(10) . 2 ?
Gd1 Sb4 Gd1 84.61(3) 3 2 ?
Ca1 Sb4 Ca1 144.30(10) . 2 ?
Gd1 Sb4 Ca1 84.61(3) 3 2 ?
Gd1 Sb4 Ca1 0.00(8) 2 2 ?
Ca1 Sb4 Ca1 84.61(3) . 3 ?
Gd1 Sb4 Ca1 0.00(8) 3 3 ?
Gd1 Sb4 Ca1 84.61(3) 2 3 ?
Ca1 Sb4 Ca1 84.61(3) 2 3 ?
Ca1 Sb4 Gd1 84.61(3) . 4 ?
Gd1 Sb4 Gd1 144.30(10) 3 4 ?
Gd1 Sb4 Gd1 84.61(3) 2 4 ?
Ca1 Sb4 Gd1 84.61(3) 2 4 ?
Ca1 Sb4 Gd1 144.30(10) 3 4 ?
Ca1 Sb4 Ca1 84.61(3) . 4 ?
Gd1 Sb4 Ca1 144.30(10) 3 4 ?
Gd1 Sb4 Ca1 84.61(3) 2 4 ?
Ca1 Sb4 Ca1 84.61(3) 2 4 ?
Ca1 Sb4 Ca1 144.30(10) 3 4 ?
Gd1 Sb4 Ca1 0.00(7) 4 4 ?
Ca1 Sb4 Ca4 72.15(5) . . ?
Gd1 Sb4 Ca4 72.15(5) 3 . ?
Gd1 Sb4 Ca4 72.15(5) 2 . ?
Ca1 Sb4 Ca4 72.15(5) 2 . ?
Ca1 Sb4 Ca4 72.15(5) 3 . ?
Gd1 Sb4 Ca4 72.15(5) 4 . ?
Ca1 Sb4 Ca4 72.15(5) 4 . ?
Ca1 Sb4 Gd3 70.94(6) . 25 ?
Gd1 Sb4 Gd3 135.64(4) 3 25 ?
Gd1 Sb4 Gd3 135.64(4) 2 25 ?
Ca1 Sb4 Gd3 135.64(4) 2 25 ?
Ca1 Sb4 Gd3 135.64(4) 3 25 ?
Gd1 Sb4 Gd3 70.94(6) 4 25 ?
Ca1 Sb4 Gd3 70.94(6) 4 25 ?
Ca4 Sb4 Gd3 129.31(8) . 25 ?
Ca1 Sb4 Ca3 70.94(6) . 25 ?
Gd1 Sb4 Ca3 135.64(4) 3 25 ?
Gd1 Sb4 Ca3 135.64(4) 2 25 ?
Ca1 Sb4 Ca3 135.64(4) 2 25 ?
Ca1 Sb4 Ca3 135.64(4) 3 25 ?
Gd1 Sb4 Ca3 70.94(6) 4 25 ?
Ca1 Sb4 Ca3 70.94(6) 4 25 ?
Ca4 Sb4 Ca3 129.31(8) . 25 ?
Gd3 Sb4 Ca3 0.0(3) 25 25 ?
Ca1 Sb4 Gd3 70.94(6) . 27_455 ?
Gd1 Sb4 Gd3 70.94(6) 3 27_455 ?
Gd1 Sb4 Gd3 135.64(4) 2 27_455 ?
Ca1 Sb4 Gd3 135.64(4) 2 27_455 ?
Ca1 Sb4 Gd3 70.94(6) 3 27_455 ?
Gd1 Sb4 Gd3 135.64(4) 4 27_455 ?
Ca1 Sb4 Gd3 135.64(4) 4 27_455 ?
Ca4 Sb4 Gd3 129.31(8) . 27_455 ?
Gd3 Sb4 Gd3 66.34(8) 25 27_455 ?
Ca3 Sb4 Gd3 66.34(8) 25 27_455 ?
Gd1 Sb5 Gd1 96.43(2) 27_455 2_565 ?
Gd1 Sb5 Ca1 0.00(2) 27_455 27_455 ?
Gd1 Sb5 Ca1 96.43(2) 2_565 27_455 ?
Gd1 Sb5 Ca1 96.43(2) 27_455 2_565 ?
Gd1 Sb5 Ca1 0.00(8) 2_565 2_565 ?
Ca1 Sb5 Ca1 96.43(2) 27_455 2_565 ?
Gd1 Sb5 Gd1 140.89(8) 27_455 28 ?
Gd1 Sb5 Gd1 96.43(3) 2_565 28 ?
Ca1 Sb5 Gd1 140.89(8) 27_455 28 ?
Ca1 Sb5 Gd1 96.43(3) 2_565 28 ?
Gd1 Sb5 Ca1 140.89(8) 27_455 28 ?
Gd1 Sb5 Ca1 96.43(3) 2_565 28 ?
Ca1 Sb5 Ca1 140.89(8) 27_455 28 ?
Ca1 Sb5 Ca1 96.43(3) 2_565 28 ?
Gd1 Sb5 Ca1 0.00(8) 28 28 ?
Gd1 Sb5 Ca1 96.43(3) 27_455 . ?
Gd1 Sb5 Ca1 140.89(8) 2_565 . ?
Ca1 Sb5 Ca1 96.43(3) 27_455 . ?
Ca1 Sb5 Ca1 140.89(8) 2_565 . ?
Gd1 Sb5 Ca1 96.43(2) 28 . ?
Ca1 Sb5 Ca1 96.43(2) 28 . ?
Gd1 Sb5 Gd2 146.78(5) 27_455 28 ?
Gd1 Sb5 Gd2 74.54(3) 2_565 28 ?
Ca1 Sb5 Gd2 146.78(5) 27_455 28 ?
Ca1 Sb5 Gd2 74.54(3) 2_565 28 ?
Gd1 Sb5 Gd2 72.33(5) 28 28 ?
Ca1 Sb5 Gd2 72.33(5) 28 28 ?
Ca1 Sb5 Gd2 74.54(3) . 28 ?
Gd1 Sb5 Ca2 146.78(5) 27_455 28 ?
Gd1 Sb5 Ca2 74.54(3) 2_565 28 ?
Ca1 Sb5 Ca2 146.78(5) 27_455 28 ?
Ca1 Sb5 Ca2 74.54(3) 2_565 28 ?
Gd1 Sb5 Ca2 72.33(5) 28 28 ?
Ca1 Sb5 Ca2 72.33(5) 28 28 ?
Ca1 Sb5 Ca2 74.54(3) . 28 ?
Gd2 Sb5 Ca2 0.00(4) 28 28 ?
Gd1 Sb5 Gd2 72.33(5) 27_455 27_455 ?
Gd1 Sb5 Gd2 74.54(3) 2_565 27_455 ?
Ca1 Sb5 Gd2 72.33(5) 27_455 27_455 ?
Ca1 Sb5 Gd2 74.54(3) 2_565 27_455 ?
Gd1 Sb5 Gd2 146.78(5) 28 27_455 ?
Ca1 Sb5 Gd2 146.78(5) 28 27_455 ?
Ca1 Sb5 Gd2 74.54(3) . 27_455 ?
Gd2 Sb5 Gd2 74.45(6) 28 27_455 ?
Ca2 Sb5 Gd2 74.45(6) 28 27_455 ?
Gd1 Sb5 Ca2 74.54(3) 27_455 2_565 ?
Gd1 Sb5 Ca2 72.33(5) 2_565 2_565 ?
Ca1 Sb5 Ca2 74.54(3) 27_455 2_565 ?
Ca1 Sb5 Ca2 72.33(5) 2_565 2_565 ?
Gd1 Sb5 Ca2 74.54(3) 28 2_565 ?
Ca1 Sb5 Ca2 74.54(3) 28 2_565 ?
Ca1 Sb5 Ca2 146.78(5) . 2_565 ?
Gd2 Sb5 Ca2 129.35(4) 28 2_565 ?
Ca2 Sb5 Ca2 129.35(4) 28 2_565 ?
Gd2 Sb5 Ca2 129.35(4) 27_455 2_565 ?

_refine_diff_density_max         1.748
_refine_diff_density_min         -2.217
_refine_diff_density_rms         0.284

_shelxl_version_number           2013-3



_exptl_crystal_recrystallization_method Arc-melting
_exptl_crystal_preparation       'Thermoelectric properties'
####################################################################### 
# 
# 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_JS92HY
_audit_block_doi                 10.25505/fiz.icsd.cc27y0bk
_database_code_depnum_ccdc_archive 'CCDC 2083458'
loop_
_audit_author_name
_audit_author_address
'Hayeon Sa'
;Chungbuk National University
South Korea
;
_audit_update_record             
;
2021-06-14 deposited with the CCDC.	2021-09-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        Ca10.63(2)Gd0.37Sb9.74(1)
_chemical_name_common            .
_chemical_melting_point          .
_chemical_formula_moiety         'Ca10.63 Gd0.37 Sb9.74'
_chemical_formula_sum            'Ca10.63 Gd0.37 Sb9.74'
_chemical_formula_weight         1670.08

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ca Ca 0.1843 0.2288 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.8380 1.1813 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.2194 3.0199 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           139
_space_group_name_H-M_alt        'I 4/m m m'
_space_group_name_Hall           '-I 4 2'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -z'
'y, x, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'

_cell_length_a                   11.9875(17)
_cell_length_b                   11.9875(17)
_cell_length_c                   17.360(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2494.7(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9424
_cell_measurement_theta_min      1.772
_cell_measurement_theta_max      22.410

_exptl_crystal_description       block
_exptl_crystal_colour            grey
_exptl_crystal_density_meas      4.398
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    4.447
_exptl_crystal_F_000             2932
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.025
_exptl_crystal_size_mid          0.018
_exptl_crystal_size_min          0.009
_exptl_absorpt_coefficient_mu    8.783
_shelx_estimated_absorpt_T_min   0.810
_shelx_estimated_absorpt_T_max   0.925
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.735
_exptl_absorpt_correction_T_max  0.891
_exptl_absorpt_process_details   
'HKL3000sm Scalepack(Otwinowski et.al,2003)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.610
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9424
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_av_R_equivalents  0.0855
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.772
_diffrn_reflns_theta_max         22.410
_diffrn_reflns_theta_full        21.469
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             770
_reflns_number_gt                732
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
'PAL BL2D-SMDC Program(Shin et.al, 2016)'
_computing_cell_refinement       'HKL3000sm(Otwinowski & Minor, 1997)'
_computing_data_reduction        'HKL3000sm(Otwinowski & Minor, 1997)'
_computing_structure_solution    'SHELXT-2018(Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018(Sheldrick, 2015b)'
_computing_molecular_graphics    'DIAMOND 4(Putz&Brandenburg, 2014)'
_computing_publication_material  'publCIF(Westrip, 2010)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0486P)²+42.5657P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   .
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         770
_refine_ls_number_parameters     43
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0315
_refine_ls_wR_factor_ref         0.0916
_refine_ls_wR_factor_gt          0.0908
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca1 Ca 0.0000 0.25195(15) 0.31076(10) 0.0249(7) Uani 0.976(4) 2 d S T P . .
Gd1 Gd 0.0000 0.25195(15) 0.31076(10) 0.0249(7) Uani 0.024(4) 2 d S T P . .
Ca2 Ca 0.0000 0.33792(13) 0.10258(9) 0.0216(6) Uani 0.942(3) 2 d S T P . .
Gd2 Gd 0.0000 0.33792(13) 0.10258(9) 0.0216(6) Uani 0.058(3) 2 d S T P . .
Ca3 Ca 0.3350(5) 0.3350(5) 0.0000 0.105(3) Uani 0.979(6) 4 d S T P . .
Gd3 Gd 0.3350(5) 0.3350(5) 0.0000 0.105(3) Uani 0.021(6) 4 d S T P . .
Ca4 Ca 0.0000 0.0000 0.1620(2) 0.0262(8) Uani 1 8 d S T P . .
Sb1 Sb 0.20670(4) 0.20670(4) 0.17610(4) 0.0235(2) Uani 1 2 d S T P . .
Sb2 Sb 0.15369(7) 0.5000 0.0000 0.0213(3) Uani 1 4 d S T P . .
Sb3 Sb 0.12618(12) 0.12618(12) 0.0000 0.0670(7) Uani 0.870(5) 4 d S T P . .
Sb4 Sb 0.0000 0.0000 0.36671(7) 0.0194(3) Uani 1 8 d S T P . .
Sb5 Sb 0.0000 0.5000 0.2500 0.0154(3) Uani 1 8 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ca1 Sb5 3.1551(18) . ?
Ca1 Sb4 3.1726(18) . ?
Ca1 Sb1 3.4494(13) . ?
Ca1 Sb1 3.4494(13) 3 ?
Ca1 Sb2 3.4746(18) 27_455 ?
Ca1 Sb1 3.5580(8) 25 ?
Ca1 Sb1 3.5580(8) 27_455 ?
Ca1 Ca2 3.758(2) . ?
Ca1 Gd2 3.8576(19) 28 ?
Ca1 Ca2 3.8576(19) 28 ?
Ca1 Ca2 3.8576(19) 27_455 ?
Ca2 Sb1 3.2005(11) . ?
Ca2 Sb1 3.2005(11) 3 ?
Ca2 Sb5 3.2133(16) . ?
Ca2 Sb2 3.2157(14) . ?
Ca2 Sb2 3.2157(14) 17_565 ?
Ca2 Sb3 3.4499(15) . ?
Ca2 Sb3 3.4499(15) 3 ?
Ca2 Gd2 3.562(3) 18 ?
Ca2 Ca2 3.562(3) 18 ?
Ca2 Ca1 3.8576(19) 28 ?
Ca3 Sb2 2.9387(8) 3_655 ?
Ca3 Sb2 2.9387(8) . ?
Ca3 Sb3 3.540(8) . ?
Ca3 Sb4 3.630(6) 25 ?
Ca3 Sb4 3.630(6) 9_554 ?
Ca3 Sb1 3.752(5) 18 ?
Ca3 Sb1 3.752(5) . ?
Ca3 Gd3 3.956(12) 19_565 ?
Ca3 Gd3 3.956(12) 3_655 ?
Ca3 Ca3 3.956(12) 19_565 ?
Ca3 Ca3 3.956(12) 3_655 ?
Ca3 Ca1 3.974(2) 25 ?
Ca4 Sb1 3.5126(9) . ?
Ca4 Sb1 3.5127(9) 2 ?
Ca4 Sb1 3.5127(9) 4 ?
Ca4 Sb1 3.5127(9) 3 ?
Ca4 Sb3 3.534(4) 17 ?
Ca4 Sb3 3.534(4) 19 ?
Ca4 Sb3 3.534(4) 3 ?
Ca4 Sb3 3.534(4) . ?
Ca4 Sb4 3.553(4) . ?
Ca4 Gd1 3.973(3) 4 ?
Ca4 Ca1 3.973(3) 4 ?
Ca4 Ca1 3.973(3) 2 ?
Sb1 Sb1 2.9561(14) 25 ?
Sb1 Gd2 3.2005(11) 4 ?
Sb1 Ca2 3.2005(11) 4 ?
Sb1 Gd1 3.4494(13) 4 ?
Sb1 Ca1 3.4494(13) 4 ?
Sb1 Ca1 3.5580(8) 25 ?
Sb1 Gd1 3.5580(8) 25 ?
Sb2 Gd3 2.9387(8) 19_565 ?
Sb2 Ca3 2.9387(8) 19_565 ?
Sb2 Gd2 3.2157(14) 18 ?
Sb2 Ca2 3.2157(14) 18 ?
Sb2 Gd2 3.2157(14) 2_565 ?
Sb2 Ca2 3.2157(14) 2_565 ?
Sb2 Gd2 3.2157(14) 17_565 ?
Sb2 Ca2 3.2157(14) 17_565 ?
Sb3 Sb3 3.025(3) 19 ?
Sb3 Sb3 3.025(3) 3 ?
Sb3 Gd2 3.4499(15) 4 ?
Sb3 Ca2 3.4499(15) 4 ?
Sb3 Gd2 3.4499(15) 19 ?
Sb3 Ca2 3.4499(15) 19 ?
Sb3 Ca2 3.4499(15) 18 ?
Sb3 Gd2 3.4499(15) 18 ?
Sb3 Ca4 3.534(4) 17 ?
Sb4 Gd1 3.1726(18) 3 ?
Sb4 Gd1 3.1726(18) 2 ?
Sb4 Ca1 3.1726(18) 2 ?
Sb4 Ca1 3.1726(18) 3 ?
Sb4 Gd1 3.1726(18) 4 ?
Sb4 Ca1 3.1726(18) 4 ?
Sb4 Gd3 3.630(6) 25 ?
Sb4 Ca3 3.630(6) 25 ?
Sb4 Gd3 3.630(6) 27_455 ?
Sb5 Gd1 3.1551(18) 27_455 ?
Sb5 Gd1 3.1551(18) 2_565 ?
Sb5 Ca1 3.1551(18) 27_455 ?
Sb5 Ca1 3.1551(18) 2_565 ?
Sb5 Gd1 3.1551(18) 28 ?
Sb5 Ca1 3.1551(18) 28 ?
Sb5 Gd2 3.2133(16) 28 ?
Sb5 Ca2 3.2133(16) 28 ?
Sb5 Gd2 3.2133(16) 27_455 ?
Sb5 Ca2 3.2133(16) 2_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Sb5 Ca1 Sb4 178.30(6) . . ?
Sb5 Ca1 Sb1 85.51(4) . . ?
Sb4 Ca1 Sb1 93.32(4) . . ?
Sb5 Ca1 Sb1 85.51(4) . 3 ?
Sb4 Ca1 Sb1 93.32(4) . 3 ?
Sb1 Ca1 Sb1 91.83(5) . 3 ?
Sb5 Ca1 Sb2 90.53(4) . 27_455 ?
Sb4 Ca1 Sb2 91.17(5) . 27_455 ?
Sb1 Ca1 Sb2 133.79(2) . 27_455 ?
Sb1 Ca1 Sb2 133.79(2) 3 27_455 ?
Sb5 Ca1 Sb1 83.69(3) . 25 ?
Sb4 Ca1 Sb1 96.49(3) . 25 ?
Sb1 Ca1 Sb1 49.87(2) . 25 ?
Sb1 Ca1 Sb1 140.82(5) 3 25 ?
Sb2 Ca1 Sb1 83.92(3) 27_455 25 ?
Sb5 Ca1 Sb1 83.69(3) . 27_455 ?
Sb4 Ca1 Sb1 96.49(3) . 27_455 ?
Sb1 Ca1 Sb1 140.82(5) . 27_455 ?
Sb1 Ca1 Sb1 49.87(2) 3 27_455 ?
Sb2 Ca1 Sb1 83.92(3) 27_455 27_455 ?
Sb1 Ca1 Sb1 162.36(6) 25 27_455 ?
Sb5 Ca1 Ca2 54.55(3) . . ?
Sb4 Ca1 Ca2 123.75(6) . . ?
Sb1 Ca1 Ca2 52.51(3) . . ?
Sb1 Ca1 Ca2 52.51(3) 3 . ?
Sb2 Ca1 Ca2 145.08(6) 27_455 . ?
Sb1 Ca1 Ca2 91.34(3) 25 . ?
Sb1 Ca1 Ca2 91.34(3) 27_455 . ?
Sb5 Ca1 Gd2 53.41(3) . 28 ?
Sb4 Ca1 Gd2 127.91(5) . 28 ?
Sb1 Ca1 Gd2 91.36(3) . 28 ?
Sb1 Ca1 Gd2 138.36(5) 3 28 ?
Sb2 Ca1 Gd2 51.70(3) 27_455 28 ?
Sb1 Ca1 Gd2 50.94(3) 25 28 ?
Sb1 Ca1 Gd2 111.43(5) 27_455 28 ?
Ca2 Ca1 Gd2 99.42(5) . 28 ?
Sb5 Ca1 Ca2 53.41(3) . 28 ?
Sb4 Ca1 Ca2 127.91(5) . 28 ?
Sb1 Ca1 Ca2 91.36(3) . 28 ?
Sb1 Ca1 Ca2 138.36(5) 3 28 ?
Sb2 Ca1 Ca2 51.70(3) 27_455 28 ?
Sb1 Ca1 Ca2 50.94(3) 25 28 ?
Sb1 Ca1 Ca2 111.43(5) 27_455 28 ?
Ca2 Ca1 Ca2 99.42(5) . 28 ?
Gd2 Ca1 Ca2 0.00(4) 28 28 ?
Sb5 Ca1 Ca2 53.41(3) . 27_455 ?
Sb4 Ca1 Ca2 127.91(5) . 27_455 ?
Sb1 Ca1 Ca2 138.36(5) . 27_455 ?
Sb1 Ca1 Ca2 91.36(3) 3 27_455 ?
Sb2 Ca1 Ca2 51.70(3) 27_455 27_455 ?
Sb1 Ca1 Ca2 111.43(5) 25 27_455 ?
Sb1 Ca1 Ca2 50.94(3) 27_455 27_455 ?
Ca2 Ca1 Ca2 99.42(5) . 27_455 ?
Gd2 Ca1 Ca2 60.49(5) 28 27_455 ?
Ca2 Ca1 Ca2 60.49(5) 28 27_455 ?
Sb1 Ca2 Sb1 101.47(5) . 3 ?
Sb1 Ca2 Sb5 88.83(4) . . ?
Sb1 Ca2 Sb5 88.83(4) 3 . ?
Sb1 Ca2 Sb2 94.258(19) . . ?
Sb1 Ca2 Sb2 164.03(4) 3 . ?
Sb5 Ca2 Sb2 94.34(4) . . ?
Sb1 Ca2 Sb2 164.03(4) . 17_565 ?
Sb1 Ca2 Sb2 94.257(19) 3 17_565 ?
Sb5 Ca2 Sb2 94.34(4) . 17_565 ?
Sb2 Ca2 Sb2 69.91(4) . 17_565 ?
Sb1 Ca2 Sb3 60.32(3) . . ?
Sb1 Ca2 Sb3 100.58(5) 3 . ?
Sb5 Ca2 Sb3 148.87(3) . . ?
Sb2 Ca2 Sb3 84.69(4) . . ?
Sb2 Ca2 Sb3 114.20(5) 17_565 . ?
Sb1 Ca2 Sb3 100.58(5) . 3 ?
Sb1 Ca2 Sb3 60.32(3) 3 3 ?
Sb5 Ca2 Sb3 148.87(3) . 3 ?
Sb2 Ca2 Sb3 114.20(5) . 3 ?
Sb2 Ca2 Sb3 84.69(4) 17_565 3 ?
Sb3 Ca2 Sb3 52.01(7) . 3 ?
Sb1 Ca2 Gd2 113.50(3) . 18 ?
Sb1 Ca2 Gd2 113.50(3) 3 18 ?
Sb5 Ca2 Gd2 142.80(3) . 18 ?
Sb2 Ca2 Gd2 56.37(3) . 18 ?
Sb2 Ca2 Gd2 56.37(3) 17_565 18 ?
Sb3 Ca2 Gd2 58.92(3) . 18 ?
Sb3 Ca2 Gd2 58.92(3) 3 18 ?
Sb1 Ca2 Ca2 113.50(3) . 18 ?
Sb1 Ca2 Ca2 113.50(3) 3 18 ?
Sb5 Ca2 Ca2 142.80(3) . 18 ?
Sb2 Ca2 Ca2 56.37(3) . 18 ?
Sb2 Ca2 Ca2 56.37(3) 17_565 18 ?
Sb3 Ca2 Ca2 58.92(3) . 18 ?
Sb3 Ca2 Ca2 58.92(3) 3 18 ?
Gd2 Ca2 Ca2 0.0 18 18 ?
Sb1 Ca2 Ca1 58.78(3) . . ?
Sb1 Ca2 Ca1 58.78(3) 3 . ?
Sb5 Ca2 Ca1 53.12(4) . . ?
Sb2 Ca2 Ca1 134.29(4) . . ?
Sb2 Ca2 Ca1 134.29(4) 17_565 . ?
Sb3 Ca2 Ca1 107.13(4) . . ?
Sb3 Ca2 Ca1 107.13(4) 3 . ?
Gd2 Ca2 Ca1 164.08(4) 18 . ?
Ca2 Ca2 Ca1 164.08(4) 18 . ?
Sb1 Ca2 Ca1 59.68(2) . 28 ?
Sb1 Ca2 Ca1 133.53(5) 3 28 ?
Sb5 Ca2 Ca1 52.03(3) . 28 ?
Sb2 Ca2 Ca1 58.00(3) . 28 ?
Sb2 Ca2 Ca1 110.69(4) 17_565 28 ?
Sb3 Ca2 Ca1 103.53(4) . 28 ?
Sb3 Ca2 Ca1 155.49(5) 3 28 ?
Gd2 Ca2 Ca1 112.96(3) 18 28 ?
Ca2 Ca2 Ca1 112.96(3) 18 28 ?
Ca1 Ca2 Ca1 76.29(4) . 28 ?
Sb2 Ca3 Sb2 174.6(3) 3_655 . ?
Sb2 Ca3 Sb3 87.31(16) 3_655 . ?
Sb2 Ca3 Sb3 87.31(16) . . ?
Sb2 Ca3 Sb4 92.08(12) 3_655 25 ?
Sb2 Ca3 Sb4 92.08(12) . 25 ?
Sb3 Ca3 Sb4 140.40(9) . 25 ?
Sb2 Ca3 Sb4 92.08(12) 3_655 9_554 ?
Sb2 Ca3 Sb4 92.08(12) . 9_554 ?
Sb3 Ca3 Sb4 140.40(9) . 9_554 ?
Sb4 Ca3 Sb4 79.19(17) 25 9_554 ?
Sb2 Ca3 Sb1 88.44(10) 3_655 18 ?
Sb2 Ca3 Sb1 88.44(10) . 18 ?
Sb3 Ca3 Sb1 54.57(10) . 18 ?
Sb4 Ca3 Sb1 165.02(19) 25 18 ?
Sb4 Ca3 Sb1 85.83(3) 9_554 18 ?
Sb2 Ca3 Sb1 88.44(10) 3_655 . ?
Sb2 Ca3 Sb1 88.44(10) . . ?
Sb3 Ca3 Sb1 54.57(10) . . ?
Sb4 Ca3 Sb1 85.83(3) 25 . ?
Sb4 Ca3 Sb1 165.03(19) 9_554 . ?
Sb1 Ca3 Sb1 109.1(2) 18 . ?
Sb2 Ca3 Gd3 137.69(16) 3_655 19_565 ?
Sb2 Ca3 Gd3 47.69(16) . 19_565 ?
Sb3 Ca3 Gd3 135.0 . 19_565 ?
Sb4 Ca3 Gd3 56.98(5) 25 19_565 ?
Sb4 Ca3 Gd3 56.98(5) 9_554 19_565 ?
Sb1 Ca3 Gd3 114.20(6) 18 19_565 ?
Sb1 Ca3 Gd3 114.20(6) . 19_565 ?
Sb2 Ca3 Gd3 47.69(16) 3_655 3_655 ?
Sb2 Ca3 Gd3 137.69(16) . 3_655 ?
Sb3 Ca3 Gd3 135.0 . 3_655 ?
Sb4 Ca3 Gd3 56.98(5) 25 3_655 ?
Sb4 Ca3 Gd3 56.98(5) 9_554 3_655 ?
Sb1 Ca3 Gd3 114.20(6) 18 3_655 ?
Sb1 Ca3 Gd3 114.20(6) . 3_655 ?
Gd3 Ca3 Gd3 90.0 19_565 3_655 ?
Sb2 Ca3 Ca3 137.69(16) 3_655 19_565 ?
Sb2 Ca3 Ca3 47.69(16) . 19_565 ?
Sb3 Ca3 Ca3 135.0 . 19_565 ?
Sb4 Ca3 Ca3 56.98(5) 25 19_565 ?
Sb4 Ca3 Ca3 56.98(5) 9_554 19_565 ?
Sb1 Ca3 Ca3 114.20(6) 18 19_565 ?
Sb1 Ca3 Ca3 114.20(6) . 19_565 ?
Gd3 Ca3 Ca3 0.0 19_565 19_565 ?
Gd3 Ca3 Ca3 90.0 3_655 19_565 ?
Sb2 Ca3 Ca3 47.69(16) 3_655 3_655 ?
Sb2 Ca3 Ca3 137.69(16) . 3_655 ?
Sb3 Ca3 Ca3 135.0 . 3_655 ?
Sb4 Ca3 Ca3 56.98(5) 25 3_655 ?
Sb4 Ca3 Ca3 56.98(5) 9_554 3_655 ?
Sb1 Ca3 Ca3 114.20(6) 18 3_655 ?
Sb1 Ca3 Ca3 114.20(6) . 3_655 ?
Gd3 Ca3 Ca3 90.0 19_565 3_655 ?
Gd3 Ca3 Ca3 0.00(17) 3_655 3_655 ?
Ca3 Ca3 Ca3 90.0 19_565 3_655 ?
Sb2 Ca3 Ca1 58.06(3) 3_655 25 ?
Sb2 Ca3 Ca1 123.00(4) . 25 ?
Sb3 Ca3 Ca1 99.59(12) . 25 ?
Sb4 Ca3 Ca1 49.06(5) 25 25 ?
Sb4 Ca3 Ca1 113.49(18) 9_554 25 ?
Sb1 Ca3 Ca1 140.37(14) 18 25 ?
Sb1 Ca3 Ca1 54.75(3) . 25 ?
Gd3 Ca3 Ca1 105.20(10) 19_565 25 ?
Gd3 Ca3 Ca1 60.15(9) 3_655 25 ?
Ca3 Ca3 Ca1 105.20(10) 19_565 25 ?
Ca3 Ca3 Ca1 60.15(9) 3_655 25 ?
Sb1 Ca4 Sb1 172.03(14) . 2 ?
Sb1 Ca4 Sb1 89.723(10) . 4 ?
Sb1 Ca4 Sb1 89.723(10) 2 4 ?
Sb1 Ca4 Sb1 89.723(10) . 3 ?
Sb1 Ca4 Sb1 89.723(10) 2 3 ?
Sb1 Ca4 Sb1 172.03(14) 4 3 ?
Sb1 Ca4 Sb3 131.23(11) . 17 ?
Sb1 Ca4 Sb3 56.74(4) 2 17 ?
Sb1 Ca4 Sb3 93.17(5) 4 17 ?
Sb1 Ca4 Sb3 93.17(5) 3 17 ?
Sb1 Ca4 Sb3 93.17(5) . 19 ?
Sb1 Ca4 Sb3 93.17(5) 2 19 ?
Sb1 Ca4 Sb3 56.74(4) 4 19 ?
Sb1 Ca4 Sb3 131.23(11) 3 19 ?
Sb3 Ca4 Sb3 50.68(6) 17 19 ?
Sb1 Ca4 Sb3 93.17(5) . 3 ?
Sb1 Ca4 Sb3 93.17(5) 2 3 ?
Sb1 Ca4 Sb3 131.23(11) 4 3 ?
Sb1 Ca4 Sb3 56.74(4) 3 3 ?
Sb3 Ca4 Sb3 50.68(6) 17 3 ?
Sb3 Ca4 Sb3 74.50(10) 19 3 ?
Sb1 Ca4 Sb3 56.74(4) . . ?
Sb1 Ca4 Sb3 131.23(11) 2 . ?
Sb1 Ca4 Sb3 93.17(5) 4 . ?
Sb1 Ca4 Sb3 93.17(5) 3 . ?
Sb3 Ca4 Sb3 74.50(10) 17 . ?
Sb3 Ca4 Sb3 50.68(6) 19 . ?
Sb3 Ca4 Sb3 50.68(6) 3 . ?
Sb1 Ca4 Sb4 86.02(7) . . ?
Sb1 Ca4 Sb4 86.02(7) 2 . ?
Sb1 Ca4 Sb4 86.02(7) 4 . ?
Sb1 Ca4 Sb4 86.02(7) 3 . ?
Sb3 Ca4 Sb4 142.75(5) 17 . ?
Sb3 Ca4 Sb4 142.75(5) 19 . ?
Sb3 Ca4 Sb4 142.75(5) 3 . ?
Sb3 Ca4 Sb4 142.75(5) . . ?
Sb1 Ca4 Gd1 54.45(3) . 4 ?
Sb1 Ca4 Gd1 119.41(8) 2 4 ?
Sb1 Ca4 Gd1 54.45(3) 4 4 ?
Sb1 Ca4 Gd1 119.41(8) 3 4 ?
Sb3 Ca4 Gd1 147.41(3) 17 4 ?
Sb3 Ca4 Gd1 101.06(3) 19 4 ?
Sb3 Ca4 Gd1 147.41(3) 3 4 ?
Sb3 Ca4 Gd1 101.06(3) . 4 ?
Sb4 Ca4 Gd1 49.48(5) . 4 ?
Sb1 Ca4 Ca1 54.45(3) . 4 ?
Sb1 Ca4 Ca1 119.41(8) 2 4 ?
Sb1 Ca4 Ca1 54.45(3) 4 4 ?
Sb1 Ca4 Ca1 119.41(8) 3 4 ?
Sb3 Ca4 Ca1 147.41(3) 17 4 ?
Sb3 Ca4 Ca1 101.06(3) 19 4 ?
Sb3 Ca4 Ca1 147.41(3) 3 4 ?
Sb3 Ca4 Ca1 101.06(3) . 4 ?
Sb4 Ca4 Ca1 49.48(5) . 4 ?
Gd1 Ca4 Ca1 0.00(4) 4 4 ?
Sb1 Ca4 Ca1 119.41(8) . 2 ?
Sb1 Ca4 Ca1 54.45(3) 2 2 ?
Sb1 Ca4 Ca1 54.45(3) 4 2 ?
Sb1 Ca4 Ca1 119.41(8) 3 2 ?
Sb3 Ca4 Ca1 101.06(3) 17 2 ?
Sb3 Ca4 Ca1 101.06(3) 19 2 ?
Sb3 Ca4 Ca1 147.41(3) 3 2 ?
Sb3 Ca4 Ca1 147.41(3) . 2 ?
Sb4 Ca4 Ca1 49.48(5) . 2 ?
Gd1 Ca4 Ca1 65.03(6) 4 2 ?
Ca1 Ca4 Ca1 65.03(6) 4 2 ?
Sb1 Sb1 Ca2 116.45(3) 25 . ?
Sb1 Sb1 Gd2 116.45(3) 25 4 ?
Ca2 Sb1 Gd2 127.01(6) . 4 ?
Sb1 Sb1 Ca2 116.45(3) 25 4 ?
Ca2 Sb1 Ca2 127.01(6) . 4 ?
Gd2 Sb1 Ca2 0.00(5) 4 4 ?
Sb1 Sb1 Gd1 66.97(3) 25 4 ?
Ca2 Sb1 Gd1 138.16(4) . 4 ?
Gd2 Sb1 Gd1 68.71(4) 4 4 ?
Ca2 Sb1 Gd1 68.71(4) 4 4 ?
Sb1 Sb1 Ca1 66.97(3) 25 4 ?
Ca2 Sb1 Ca1 138.16(4) . 4 ?
Gd2 Sb1 Ca1 68.71(4) 4 4 ?
Ca2 Sb1 Ca1 68.71(4) 4 4 ?
Gd1 Sb1 Ca1 0.00(6) 4 4 ?
Sb1 Sb1 Ca1 66.97(3) 25 . ?
Ca2 Sb1 Ca1 68.71(4) . . ?
Gd2 Sb1 Ca1 138.16(4) 4 . ?
Ca2 Sb1 Ca1 138.16(4) 4 . ?
Gd1 Sb1 Ca1 76.50(6) 4 . ?
Ca1 Sb1 Ca1 76.50(6) 4 . ?
Sb1 Sb1 Ca4 123.76(8) 25 . ?
Ca2 Sb1 Ca4 76.87(4) . . ?
Gd2 Sb1 Ca4 76.87(4) 4 . ?
Ca2 Sb1 Ca4 76.87(4) 4 . ?
Gd1 Sb1 Ca4 69.59(6) 4 . ?
Ca1 Sb1 Ca4 69.59(6) 4 . ?
Ca1 Sb1 Ca4 69.59(6) . . ?
Sb1 Sb1 Ca1 63.15(3) 25 25 ?
Ca2 Sb1 Ca1 136.23(4) . 25 ?
Gd2 Sb1 Ca1 69.38(4) 4 25 ?
Ca2 Sb1 Ca1 69.38(4) 4 25 ?
Gd1 Sb1 Ca1 84.33(5) 4 25 ?
Ca1 Sb1 Ca1 84.33(5) 4 25 ?
Ca1 Sb1 Ca1 130.12(2) . 25 ?
Ca4 Sb1 Ca1 143.11(3) . 25 ?
Sb1 Sb1 Gd1 63.15(3) 25 25 ?
Ca2 Sb1 Gd1 136.23(4) . 25 ?
Gd2 Sb1 Gd1 69.38(4) 4 25 ?
Ca2 Sb1 Gd1 69.38(4) 4 25 ?
Gd1 Sb1 Gd1 84.33(5) 4 25 ?
Ca1 Sb1 Gd1 84.33(5) 4 25 ?
Ca1 Sb1 Gd1 130.12(2) . 25 ?
Ca4 Sb1 Gd1 143.11(3) . 25 ?
Ca1 Sb1 Gd1 0.00(8) 25 25 ?
Gd3 Sb2 Ca3 0.00(17) 19_565 19_565 ?
Gd3 Sb2 Ca3 84.6(3) 19_565 . ?
Ca3 Sb2 Ca3 84.6(3) 19_565 . ?
Gd3 Sb2 Gd2 146.14(3) 19_565 18 ?
Ca3 Sb2 Gd2 146.14(3) 19_565 18 ?
Ca3 Sb2 Gd2 90.98(14) . 18 ?
Gd3 Sb2 Ca2 146.14(3) 19_565 18 ?
Ca3 Sb2 Ca2 146.14(3) 19_565 18 ?
Ca3 Sb2 Ca2 90.98(14) . 18 ?
Gd2 Sb2 Ca2 0.00(6) 18 18 ?
Gd3 Sb2 Gd2 90.98(14) 19_565 2_565 ?
Ca3 Sb2 Gd2 90.98(14) 19_565 2_565 ?
Ca3 Sb2 Gd2 146.14(3) . 2_565 ?
Gd2 Sb2 Gd2 110.09(4) 18 2_565 ?
Ca2 Sb2 Gd2 110.09(4) 18 2_565 ?
Gd3 Sb2 Ca2 90.98(14) 19_565 2_565 ?
Ca3 Sb2 Ca2 90.98(14) 19_565 2_565 ?
Ca3 Sb2 Ca2 146.14(3) . 2_565 ?
Gd2 Sb2 Ca2 110.09(4) 18 2_565 ?
Ca2 Sb2 Ca2 110.09(4) 18 2_565 ?
Gd2 Sb2 Ca2 0.0 2_565 2_565 ?
Gd3 Sb2 Gd2 90.98(14) 19_565 17_565 ?
Ca3 Sb2 Gd2 90.98(14) 19_565 17_565 ?
Ca3 Sb2 Gd2 146.14(3) . 17_565 ?
Gd2 Sb2 Gd2 74.34(5) 18 17_565 ?
Ca2 Sb2 Gd2 74.34(5) 18 17_565 ?
Gd2 Sb2 Gd2 67.25(5) 2_565 17_565 ?
Ca2 Sb2 Gd2 67.25(5) 2_565 17_565 ?
Gd3 Sb2 Ca2 90.98(14) 19_565 17_565 ?
Ca3 Sb2 Ca2 90.98(14) 19_565 17_565 ?
Ca3 Sb2 Ca2 146.14(3) . 17_565 ?
Gd2 Sb2 Ca2 74.34(5) 18 17_565 ?
Ca2 Sb2 Ca2 74.34(5) 18 17_565 ?
Gd2 Sb2 Ca2 67.25(5) 2_565 17_565 ?
Ca2 Sb2 Ca2 67.25(5) 2_565 17_565 ?
Gd2 Sb2 Ca2 0.00(5) 17_565 17_565 ?
Gd3 Sb2 Ca2 146.14(3) 19_565 . ?
Ca3 Sb2 Ca2 146.14(3) 19_565 . ?
Ca3 Sb2 Ca2 90.98(14) . . ?
Gd2 Sb2 Ca2 67.25(5) 18 . ?
Ca2 Sb2 Ca2 67.25(5) 18 . ?
Gd2 Sb2 Ca2 74.34(5) 2_565 . ?
Ca2 Sb2 Ca2 74.34(5) 2_565 . ?
Gd2 Sb2 Ca2 110.09(4) 17_565 . ?
Ca2 Sb2 Ca2 110.09(4) 17_565 . ?
Sb3 Sb3 Sb3 90.0 19 3 ?
Sb3 Sb3 Ca2 137.37(4) 19 . ?
Sb3 Sb3 Ca2 64.00(3) 3 . ?
Sb3 Sb3 Gd2 64.00(3) 19 4 ?
Sb3 Sb3 Gd2 137.37(4) 3 4 ?
Ca2 Sb3 Gd2 112.25(5) . 4 ?
Sb3 Sb3 Ca2 64.00(3) 19 4 ?
Sb3 Sb3 Ca2 137.37(4) 3 4 ?
Ca2 Sb3 Ca2 112.25(5) . 4 ?
Gd2 Sb3 Ca2 0.00(4) 4 4 ?
Sb3 Sb3 Gd2 64.00(3) 19 19 ?
Sb3 Sb3 Gd2 137.37(4) 3 19 ?
Ca2 Sb3 Gd2 155.73(7) . 19 ?
Gd2 Sb3 Gd2 62.15(5) 4 19 ?
Ca2 Sb3 Gd2 62.15(5) 4 19 ?
Sb3 Sb3 Ca2 64.00(3) 19 19 ?
Sb3 Sb3 Ca2 137.37(4) 3 19 ?
Ca2 Sb3 Ca2 155.73(7) . 19 ?
Gd2 Sb3 Ca2 62.15(5) 4 19 ?
Ca2 Sb3 Ca2 62.15(5) 4 19 ?
Gd2 Sb3 Ca2 0.00(6) 19 19 ?
Sb3 Sb3 Ca2 137.37(4) 19 18 ?
Sb3 Sb3 Ca2 64.00(3) 3 18 ?
Ca2 Sb3 Ca2 62.15(5) . 18 ?
Gd2 Sb3 Ca2 155.73(7) 4 18 ?
Ca2 Sb3 Ca2 155.73(7) 4 18 ?
Gd2 Sb3 Ca2 112.25(5) 19 18 ?
Ca2 Sb3 Ca2 112.25(5) 19 18 ?
Sb3 Sb3 Gd2 137.37(4) 19 18 ?
Sb3 Sb3 Gd2 64.00(3) 3 18 ?
Ca2 Sb3 Gd2 62.15(5) . 18 ?
Gd2 Sb3 Gd2 155.73(7) 4 18 ?
Ca2 Sb3 Gd2 155.73(7) 4 18 ?
Gd2 Sb3 Gd2 112.25(5) 19 18 ?
Ca2 Sb3 Gd2 112.25(5) 19 18 ?
Ca2 Sb3 Gd2 0.00(6) 18 18 ?
Sb3 Sb3 Ca4 64.66(3) 19 17 ?
Sb3 Sb3 Ca4 64.66(3) 3 17 ?
Ca2 Sb3 Ca4 122.56(3) . 17 ?
Gd2 Sb3 Ca4 122.56(3) 4 17 ?
Ca2 Sb3 Ca4 122.56(3) 4 17 ?
Gd2 Sb3 Ca4 73.52(3) 19 17 ?
Ca2 Sb3 Ca4 73.52(3) 19 17 ?
Ca2 Sb3 Ca4 73.52(3) 18 17 ?
Gd2 Sb3 Ca4 73.52(3) 18 17 ?
Sb3 Sb3 Ca4 64.66(3) 19 . ?
Sb3 Sb3 Ca4 64.66(3) 3 . ?
Ca2 Sb3 Ca4 73.52(3) . . ?
Gd2 Sb3 Ca4 73.52(3) 4 . ?
Ca2 Sb3 Ca4 73.52(3) 4 . ?
Gd2 Sb3 Ca4 122.56(3) 19 . ?
Ca2 Sb3 Ca4 122.56(3) 19 . ?
Ca2 Sb3 Ca4 122.56(3) 18 . ?
Gd2 Sb3 Ca4 122.56(3) 18 . ?
Ca4 Sb3 Ca4 105.50(10) 17 . ?
Ca1 Sb4 Gd1 84.62(2) . 3 ?
Ca1 Sb4 Gd1 144.34(7) . 2 ?
Gd1 Sb4 Gd1 84.62(2) 3 2 ?
Ca1 Sb4 Ca1 144.34(7) . 2 ?
Gd1 Sb4 Ca1 84.62(2) 3 2 ?
Gd1 Sb4 Ca1 0.00(6) 2 2 ?
Ca1 Sb4 Ca1 84.62(2) . 3 ?
Gd1 Sb4 Ca1 0.00(6) 3 3 ?
Gd1 Sb4 Ca1 84.62(2) 2 3 ?
Ca1 Sb4 Ca1 84.62(2) 2 3 ?
Ca1 Sb4 Gd1 84.62(2) . 4 ?
Gd1 Sb4 Gd1 144.34(7) 3 4 ?
Gd1 Sb4 Gd1 84.62(2) 2 4 ?
Ca1 Sb4 Gd1 84.62(2) 2 4 ?
Ca1 Sb4 Gd1 144.34(7) 3 4 ?
Ca1 Sb4 Ca1 84.62(2) . 4 ?
Gd1 Sb4 Ca1 144.34(7) 3 4 ?
Gd1 Sb4 Ca1 84.62(2) 2 4 ?
Ca1 Sb4 Ca1 84.62(2) 2 4 ?
Ca1 Sb4 Ca1 144.34(7) 3 4 ?
Gd1 Sb4 Ca1 0.00(6) 4 4 ?
Ca1 Sb4 Ca4 72.17(4) . . ?
Gd1 Sb4 Ca4 72.17(4) 3 . ?
Gd1 Sb4 Ca4 72.17(4) 2 . ?
Ca1 Sb4 Ca4 72.17(4) 2 . ?
Ca1 Sb4 Ca4 72.17(4) 3 . ?
Gd1 Sb4 Ca4 72.17(4) 4 . ?
Ca1 Sb4 Ca4 72.17(4) 4 . ?
Ca1 Sb4 Gd3 71.12(6) . 25 ?
Gd1 Sb4 Gd3 135.55(4) 3 25 ?
Gd1 Sb4 Gd3 135.55(4) 2 25 ?
Ca1 Sb4 Gd3 135.55(4) 2 25 ?
Ca1 Sb4 Gd3 135.55(4) 3 25 ?
Gd1 Sb4 Gd3 71.12(6) 4 25 ?
Ca1 Sb4 Gd3 71.12(6) 4 25 ?
Ca4 Sb4 Gd3 129.60(9) . 25 ?
Ca1 Sb4 Ca3 71.12(6) . 25 ?
Gd1 Sb4 Ca3 135.55(4) 3 25 ?
Gd1 Sb4 Ca3 135.55(4) 2 25 ?
Ca1 Sb4 Ca3 135.55(4) 2 25 ?
Ca1 Sb4 Ca3 135.55(4) 3 25 ?
Gd1 Sb4 Ca3 71.12(6) 4 25 ?
Ca1 Sb4 Ca3 71.12(6) 4 25 ?
Ca4 Sb4 Ca3 129.60(9) . 25 ?
Gd3 Sb4 Ca3 0.0 25 25 ?
Ca1 Sb4 Gd3 71.12(6) . 27_455 ?
Gd1 Sb4 Gd3 71.12(6) 3 27_455 ?
Gd1 Sb4 Gd3 135.55(3) 2 27_455 ?
Ca1 Sb4 Gd3 135.55(3) 2 27_455 ?
Ca1 Sb4 Gd3 71.12(6) 3 27_455 ?
Gd1 Sb4 Gd3 135.55(4) 4 27_455 ?
Ca1 Sb4 Gd3 135.55(4) 4 27_455 ?
Ca4 Sb4 Gd3 129.60(9) . 27_455 ?
Gd3 Sb4 Gd3 66.03(9) 25 27_455 ?
Ca3 Sb4 Gd3 66.03(9) 25 27_455 ?
Gd1 Sb5 Gd1 96.42(2) 27_455 2_565 ?
Gd1 Sb5 Ca1 0.00(2) 27_455 27_455 ?
Gd1 Sb5 Ca1 96.42(2) 2_565 27_455 ?
Gd1 Sb5 Ca1 96.42(2) 27_455 2_565 ?
Gd1 Sb5 Ca1 0.00(6) 2_565 2_565 ?
Ca1 Sb5 Ca1 96.42(2) 27_455 2_565 ?
Gd1 Sb5 Gd1 140.94(6) 27_455 28 ?
Gd1 Sb5 Gd1 96.42(2) 2_565 28 ?
Ca1 Sb5 Gd1 140.94(6) 27_455 28 ?
Ca1 Sb5 Gd1 96.42(2) 2_565 28 ?
Gd1 Sb5 Ca1 140.94(6) 27_455 28 ?
Gd1 Sb5 Ca1 96.42(2) 2_565 28 ?
Ca1 Sb5 Ca1 140.94(6) 27_455 28 ?
Ca1 Sb5 Ca1 96.42(2) 2_565 28 ?
Gd1 Sb5 Ca1 0.00(6) 28 28 ?
Gd1 Sb5 Ca1 96.42(2) 27_455 . ?
Gd1 Sb5 Ca1 140.94(6) 2_565 . ?
Ca1 Sb5 Ca1 96.42(2) 27_455 . ?
Ca1 Sb5 Ca1 140.94(6) 2_565 . ?
Gd1 Sb5 Ca1 96.42(2) 28 . ?
Ca1 Sb5 Ca1 96.42(2) 28 . ?
Gd1 Sb5 Gd2 146.73(4) 27_455 28 ?
Gd1 Sb5 Gd2 74.56(2) 2_565 28 ?
Ca1 Sb5 Gd2 146.73(4) 27_455 28 ?
Ca1 Sb5 Gd2 74.56(2) 2_565 28 ?
Gd1 Sb5 Gd2 72.32(4) 28 28 ?
Ca1 Sb5 Gd2 72.32(4) 28 28 ?
Ca1 Sb5 Gd2 74.56(2) . 28 ?
Gd1 Sb5 Ca2 146.73(4) 27_455 28 ?
Gd1 Sb5 Ca2 74.56(2) 2_565 28 ?
Ca1 Sb5 Ca2 146.73(4) 27_455 28 ?
Ca1 Sb5 Ca2 74.56(2) 2_565 28 ?
Gd1 Sb5 Ca2 72.32(4) 28 28 ?
Ca1 Sb5 Ca2 72.32(4) 28 28 ?
Ca1 Sb5 Ca2 74.56(2) . 28 ?
Gd2 Sb5 Ca2 0.00(5) 28 28 ?
Gd1 Sb5 Gd2 72.32(4) 27_455 27_455 ?
Gd1 Sb5 Gd2 74.56(2) 2_565 27_455 ?
Ca1 Sb5 Gd2 72.32(4) 27_455 27_455 ?
Ca1 Sb5 Gd2 74.56(2) 2_565 27_455 ?
Gd1 Sb5 Gd2 146.73(4) 28 27_455 ?
Ca1 Sb5 Gd2 146.73(4) 28 27_455 ?
Ca1 Sb5 Gd2 74.56(2) . 27_455 ?
Gd2 Sb5 Gd2 74.41(6) 28 27_455 ?
Ca2 Sb5 Gd2 74.41(6) 28 27_455 ?
Gd1 Sb5 Ca2 74.56(2) 27_455 2_565 ?
Gd1 Sb5 Ca2 72.32(4) 2_565 2_565 ?
Ca1 Sb5 Ca2 74.56(2) 27_455 2_565 ?
Ca1 Sb5 Ca2 72.32(4) 2_565 2_565 ?
Gd1 Sb5 Ca2 74.56(2) 28 2_565 ?
Ca1 Sb5 Ca2 74.56(2) 28 2_565 ?
Ca1 Sb5 Ca2 146.73(4) . 2_565 ?
Gd2 Sb5 Ca2 129.37(4) 28 2_565 ?
Ca2 Sb5 Ca2 129.37(4) 28 2_565 ?
Gd2 Sb5 Ca2 129.37(3) 27_455 2_565 ?

_refine_diff_density_max         1.478
_refine_diff_density_min         -2.276
_refine_diff_density_rms         0.252

_shelxl_version_number           2013-3



_exptl_crystal_recrystallization_method Arc-melting
_exptl_crystal_preparation       'Thermoelectric properties'
####################################################################### 
# 
# 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_JS90_180720_0m
_audit_block_doi                 10.25505/fiz.icsd.cc27y1r0
_database_code_depnum_ccdc_archive 'CCDC 2083502'
loop_
_audit_author_name
_audit_author_address
'Hayeon Sa'
;Chungbuk National University
South Korea
;
_audit_update_record             
;
2021-06-14 deposited with the CCDC.	2021-09-07 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT213_JS90_180720_0m      
;
PROBLEM: Atom Gd3             has ADP max/min Ratio .....        4.6 prolat
RESPONSE: This relatively large ADP value on Gd3 is due to the slight dislocation of Ca3/Gd3, and it is known as an intrinsic structural feature of the Ho11Ge10-type structure.
;
_vrf_PLAT971_JS90_180720_0m      
;
PROBLEM: Check Calcd Resid. Dens.  0.87A   From Sb3             2.87 eA-3
RESPONSE: This residual density near Sb3 is due to the slight dislocation of Sb3, and it is known as an intrinsic structural feature of the Ho11Ge10-type structure.
;
# Added during the CSD deposition process: Monday 14 June 2021 01:09 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2013
_chemical_name_systematic        Ca10.64(2)Gd0.36Sb9.63(1)
_chemical_name_common            .
_chemical_melting_point          .
_chemical_formula_moiety         'Ca10.64 Gd0.36 Sb9.63'
_chemical_formula_sum            'Ca10.64 Gd0.36 Sb9.63'
_chemical_formula_weight         1655.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           139
_space_group_name_H-M_alt        'I 4/m m m'
_space_group_name_Hall           '-I 4 2'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -z'
'y, x, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'

_cell_length_a                   11.9850(6)
_cell_length_b                   11.9850(6)
_cell_length_c                   17.2845(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2482.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    654
_cell_measurement_theta_min      2.07
_cell_measurement_theta_max      24.70

_exptl_crystal_description       block
_exptl_crystal_colour            silver
_exptl_crystal_density_meas      4.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    4.429
_exptl_crystal_F_000             2908
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    13.424
_shelx_estimated_absorpt_T_min   .
_shelx_estimated_absorpt_T_max   .
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5806
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12493
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.068
_diffrn_reflns_theta_max         24.697
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.946
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.946
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.946
_reflns_number_total             654
_reflns_number_gt                569
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0188P)²+92.4642P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         654
_refine_ls_number_parameters     43
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0274
_refine_ls_wR_factor_ref         0.0595
_refine_ls_wR_factor_gt          0.0558
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca1 Ca 0.0000 0.25206(17) 0.31108(12) 0.0176(8) Uani 0.978(4) 2 d S T P . .
Gd1 Gd 0.0000 0.25206(17) 0.31108(12) 0.0176(8) Uani 0.022(4) 2 d S T P . .
Ca2 Ca 0.0000 0.33764(16) 0.10269(10) 0.0164(7) Uani 0.941(4) 2 d S T P . .
Gd2 Gd 0.0000 0.33764(16) 0.10269(10) 0.0164(7) Uani 0.059(4) 2 d S T P . .
Ca3 Ca 0.3346(5) 0.3346(5) 0.0000 0.091(3) Uani 0.984(7) 4 d S T P . .
Gd3 Gd 0.3346(5) 0.3346(5) 0.0000 0.091(3) Uani 0.016(7) 4 d S T P . .
Ca4 Ca 0.0000 0.0000 0.1633(3) 0.0214(11) Uani 1 8 d S T P . .
Sb1 Sb 0.20653(5) 0.20653(5) 0.17594(4) 0.0200(2) Uani 1 2 d S T P . .
Sb2 Sb 0.15353(8) 0.5000 0.0000 0.0152(3) Uani 1 4 d S T P . .
Sb3 Sb 0.12558(16) 0.12558(16) 0.0000 0.0652(9) Uani 0.817(6) 4 d S T P . .
Sb4 Sb 0.0000 0.0000 0.36667(9) 0.0145(3) Uani 1 8 d S T P . .
Sb5 Sb 0.0000 0.5000 0.2500 0.0104(3) Uani 1 8 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ca1 Sb5 3.154(2) . ?
Ca1 Sb4 3.170(2) . ?
Ca1 Sb1 3.4468(15) 3 ?
Ca1 Sb1 3.4468(15) . ?
Ca1 Sb2 3.456(2) 27_455 ?
Ca1 Sb1 3.5592(7) 25 ?
Ca1 Sb1 3.5592(7) 27_455 ?
Ca1 Ca2 3.745(3) . ?
Ca1 Gd2 3.852(2) 28 ?
Ca1 Ca2 3.852(2) 28 ?
Ca1 Ca2 3.852(2) 27_455 ?
Ca2 Sb1 3.1936(12) . ?
Ca2 Sb1 3.1936(12) 3 ?
Ca2 Sb5 3.2045(18) . ?
Ca2 Sb2 3.2129(16) . ?
Ca2 Sb2 3.2129(16) 17_565 ?
Ca2 Sb3 3.4461(17) . ?
Ca2 Sb3 3.4461(17) 3 ?
Ca2 Gd2 3.550(3) 18 ?
Ca2 Ca2 3.550(3) 18 ?
Ca2 Ca1 3.852(2) 28 ?
Ca3 Sb2 2.9392(8) 3_655 ?
Ca3 Sb2 2.9392(8) . ?
Ca3 Sb3 3.542(9) . ?
Ca3 Sb4 3.629(6) 25 ?
Ca3 Sb4 3.629(6) 9_554 ?
Ca3 Sb1 3.736(5) 18 ?
Ca3 Sb1 3.736(5) . ?
Ca3 Ca1 3.959(2) 25 ?
Ca3 Ca1 3.959(2) 28 ?
Ca3 Gd1 3.959(2) 25 ?
Ca3 Gd1 3.959(2) 28 ?
Ca3 Ca1 3.959(2) 11_554 ?
Ca4 Sb1 3.5072(9) . ?
Ca4 Sb1 3.5073(9) 2 ?
Ca4 Sb1 3.5073(9) 4 ?
Ca4 Sb1 3.5073(9) 3 ?
Ca4 Sb4 3.514(5) . ?
Ca4 Sb3 3.536(4) 17 ?
Ca4 Sb3 3.536(4) 19 ?
Ca4 Sb3 3.536(4) 3 ?
Ca4 Sb3 3.536(4) . ?
Ca4 Ca1 3.956(4) 4 ?
Sb1 Sb1 2.9540(16) 25 ?
Sb1 Gd2 3.1936(12) 4 ?
Sb1 Ca2 3.1936(12) 4 ?
Sb1 Gd1 3.4467(15) 4 ?
Sb1 Ca1 3.4467(15) 4 ?
Sb1 Ca1 3.5592(7) 25 ?
Sb1 Gd1 3.5592(7) 25 ?
Sb2 Gd3 2.9392(8) 19_565 ?
Sb2 Ca3 2.9392(8) 19_565 ?
Sb2 Gd2 3.2129(16) 18 ?
Sb2 Ca2 3.2129(16) 18 ?
Sb2 Gd2 3.2129(16) 2_565 ?
Sb2 Ca2 3.2129(16) 2_565 ?
Sb2 Gd2 3.2129(16) 17_565 ?
Sb2 Ca2 3.2129(16) 17_565 ?
Sb3 Sb3 3.010(4) 19 ?
Sb3 Sb3 3.010(4) 3 ?
Sb3 Gd2 3.4461(17) 4 ?
Sb3 Ca2 3.4461(17) 4 ?
Sb3 Gd2 3.4461(17) 19 ?
Sb3 Ca2 3.4461(17) 19 ?
Sb3 Ca2 3.4461(17) 18 ?
Sb3 Gd2 3.4461(17) 18 ?
Sb3 Ca4 3.536(4) 17 ?
Sb4 Gd1 3.170(2) 3 ?
Sb4 Gd1 3.170(2) 2 ?
Sb4 Ca1 3.170(2) 2 ?
Sb4 Ca1 3.170(2) 3 ?
Sb4 Gd1 3.170(2) 4 ?
Sb4 Ca1 3.170(2) 4 ?
Sb4 Gd3 3.629(6) 25 ?
Sb4 Ca3 3.629(6) 25 ?
Sb4 Gd3 3.629(6) 27_455 ?
Sb5 Gd1 3.153(2) 27_455 ?
Sb5 Gd1 3.153(2) 2_565 ?
Sb5 Ca1 3.153(2) 27_455 ?
Sb5 Ca1 3.153(2) 2_565 ?
Sb5 Gd1 3.153(2) 28 ?
Sb5 Ca1 3.153(2) 28 ?
Sb5 Gd2 3.2045(18) 28 ?
Sb5 Ca2 3.2045(18) 28 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Sb5 Ca1 Sb4 178.09(8) . . ?
Sb5 Ca1 Sb1 85.55(4) . 3 ?
Sb4 Ca1 Sb1 93.13(5) . 3 ?
Sb5 Ca1 Sb1 85.55(4) . . ?
Sb4 Ca1 Sb1 93.13(5) . . ?
Sb1 Ca1 Sb1 91.80(5) 3 . ?
Sb5 Ca1 Sb2 90.45(5) . 27_455 ?
Sb4 Ca1 Sb2 91.47(6) . 27_455 ?
Sb1 Ca1 Sb2 133.80(3) 3 27_455 ?
Sb1 Ca1 Sb2 133.80(3) . 27_455 ?
Sb5 Ca1 Sb1 83.67(3) . 25 ?
Sb4 Ca1 Sb1 96.53(3) . 25 ?
Sb1 Ca1 Sb1 140.76(6) 3 25 ?
Sb1 Ca1 Sb1 49.84(2) . 25 ?
Sb2 Ca1 Sb1 83.96(3) 27_455 25 ?
Sb5 Ca1 Sb1 83.67(3) . 27_455 ?
Sb4 Ca1 Sb1 96.53(3) . 27_455 ?
Sb1 Ca1 Sb1 49.84(2) 3 27_455 ?
Sb1 Ca1 Sb1 140.76(6) . 27_455 ?
Sb2 Ca1 Sb1 83.96(3) 27_455 27_455 ?
Sb1 Ca1 Sb1 162.39(7) 25 27_455 ?
Sb5 Ca1 Ca2 54.55(4) . . ?
Sb4 Ca1 Ca2 123.54(7) . . ?
Sb1 Ca1 Ca2 52.53(3) 3 . ?
Sb1 Ca1 Ca2 52.53(3) . . ?
Sb2 Ca1 Ca2 144.99(7) 27_455 . ?
Sb1 Ca1 Ca2 91.29(4) 25 . ?
Sb1 Ca1 Ca2 91.29(4) 27_455 . ?
Sb5 Ca1 Gd2 53.32(3) . 28 ?
Sb4 Ca1 Gd2 128.16(6) . 28 ?
Sb1 Ca1 Gd2 138.34(6) 3 28 ?
Sb1 Ca1 Gd2 91.24(4) . 28 ?
Sb2 Ca1 Gd2 51.82(4) 27_455 28 ?
Sb1 Ca1 Gd2 50.86(3) 25 28 ?
Sb1 Ca1 Gd2 111.54(5) 27_455 28 ?
Ca2 Ca1 Gd2 99.26(5) . 28 ?
Sb5 Ca1 Ca2 53.32(3) . 28 ?
Sb4 Ca1 Ca2 128.16(6) . 28 ?
Sb1 Ca1 Ca2 138.34(6) 3 28 ?
Sb1 Ca1 Ca2 91.24(4) . 28 ?
Sb2 Ca1 Ca2 51.82(4) 27_455 28 ?
Sb1 Ca1 Ca2 50.86(3) 25 28 ?
Sb1 Ca1 Ca2 111.54(5) 27_455 28 ?
Ca2 Ca1 Ca2 99.26(5) . 28 ?
Gd2 Ca1 Ca2 0.00(5) 28 28 ?
Sb5 Ca1 Ca2 53.32(3) . 27_455 ?
Sb4 Ca1 Ca2 128.16(6) . 27_455 ?
Sb1 Ca1 Ca2 91.24(4) 3 27_455 ?
Sb1 Ca1 Ca2 138.34(6) . 27_455 ?
Sb2 Ca1 Ca2 51.82(4) 27_455 27_455 ?
Sb1 Ca1 Ca2 111.54(5) 25 27_455 ?
Sb1 Ca1 Ca2 50.86(3) 27_455 27_455 ?
Ca2 Ca1 Ca2 99.26(5) . 27_455 ?
Gd2 Ca1 Ca2 60.68(6) 28 27_455 ?
Ca2 Ca1 Ca2 60.68(6) 28 27_455 ?
Sb1 Ca2 Sb1 101.62(6) . 3 ?
Sb1 Ca2 Sb5 89.07(4) . . ?
Sb1 Ca2 Sb5 89.07(4) 3 . ?
Sb1 Ca2 Sb2 94.19(2) . . ?
Sb1 Ca2 Sb2 163.93(5) 3 . ?
Sb5 Ca2 Sb2 94.08(4) . . ?
Sb1 Ca2 Sb2 163.93(5) . 17_565 ?
Sb1 Ca2 Sb2 94.19(2) 3 17_565 ?
Sb5 Ca2 Sb2 94.08(4) . 17_565 ?
Sb2 Ca2 Sb2 69.88(5) . 17_565 ?
Sb1 Ca2 Sb3 60.18(3) . . ?
Sb1 Ca2 Sb3 100.36(6) 3 . ?
Sb5 Ca2 Sb3 148.99(4) . . ?
Sb2 Ca2 Sb3 84.95(5) . . ?
Sb2 Ca2 Sb3 114.35(5) 17_565 . ?
Sb1 Ca2 Sb3 100.36(6) . 3 ?
Sb1 Ca2 Sb3 60.18(3) 3 3 ?
Sb5 Ca2 Sb3 148.99(4) . 3 ?
Sb2 Ca2 Sb3 114.35(5) . 3 ?
Sb2 Ca2 Sb3 84.95(5) 17_565 3 ?
Sb3 Ca2 Sb3 51.79(8) . 3 ?
Sb1 Ca2 Gd2 113.36(3) . 18 ?
Sb1 Ca2 Gd2 113.36(3) 3 18 ?
Sb5 Ca2 Gd2 142.61(3) . 18 ?
Sb2 Ca2 Gd2 56.46(3) . 18 ?
Sb2 Ca2 Gd2 56.46(3) 17_565 18 ?
Sb3 Ca2 Gd2 59.00(3) . 18 ?
Sb3 Ca2 Gd2 59.00(3) 3 18 ?
Sb1 Ca2 Ca2 113.36(3) . 18 ?
Sb1 Ca2 Ca2 113.36(3) 3 18 ?
Sb5 Ca2 Ca2 142.61(3) . 18 ?
Sb2 Ca2 Ca2 56.46(3) . 18 ?
Sb2 Ca2 Ca2 56.46(3) 17_565 18 ?
Sb3 Ca2 Ca2 59.00(3) . 18 ?
Sb3 Ca2 Ca2 59.00(3) 3 18 ?
Gd2 Ca2 Ca2 0.0 18 18 ?
Sb1 Ca2 Ca1 58.93(3) . . ?
Sb1 Ca2 Ca1 58.93(3) 3 . ?
Sb5 Ca2 Ca1 53.28(4) . . ?
Sb2 Ca2 Ca1 134.20(4) . . ?
Sb2 Ca2 Ca1 134.20(4) 17_565 . ?
Sb3 Ca2 Ca1 107.06(5) . . ?
Sb3 Ca2 Ca1 107.06(5) 3 . ?
Gd2 Ca2 Ca1 164.10(4) 18 . ?
Ca2 Ca2 Ca1 164.10(4) 18 . ?
Sb1 Ca2 Ca1 59.82(2) . 28 ?
Sb1 Ca2 Ca1 133.87(6) 3 28 ?
Sb5 Ca2 Ca1 52.11(3) . 28 ?
Sb2 Ca2 Ca1 57.73(3) . 28 ?
Sb2 Ca2 Ca1 110.47(5) 17_565 28 ?
Sb3 Ca2 Ca1 103.59(5) . 28 ?
Sb3 Ca2 Ca1 155.34(6) 3 28 ?
Gd2 Ca2 Ca1 112.76(4) 18 28 ?
Ca2 Ca2 Ca1 112.76(4) 18 28 ?
Ca1 Ca2 Ca1 76.48(4) . 28 ?
Sb2 Ca3 Sb2 174.8(3) 3_655 . ?
Sb2 Ca3 Sb3 87.42(16) 3_655 . ?
Sb2 Ca3 Sb3 87.42(16) . . ?
Sb2 Ca3 Sb4 91.99(12) 3_655 25 ?
Sb2 Ca3 Sb4 91.99(12) . 25 ?
Sb3 Ca3 Sb4 140.58(8) . 25 ?
Sb2 Ca3 Sb4 91.99(12) 3_655 9_554 ?
Sb2 Ca3 Sb4 91.99(12) . 9_554 ?
Sb3 Ca3 Sb4 140.58(8) . 9_554 ?
Sb4 Ca3 Sb4 78.84(17) 25 9_554 ?
Sb2 Ca3 Sb1 88.50(10) 3_655 18 ?
Sb2 Ca3 Sb1 88.50(10) . 18 ?
Sb3 Ca3 Sb1 54.49(10) . 18 ?
Sb4 Ca3 Sb1 164.93(19) 25 18 ?
Sb4 Ca3 Sb1 86.10(3) 9_554 18 ?
Sb2 Ca3 Sb1 88.50(10) 3_655 . ?
Sb2 Ca3 Sb1 88.50(10) . . ?
Sb3 Ca3 Sb1 54.48(10) . . ?
Sb4 Ca3 Sb1 86.10(3) 25 . ?
Sb4 Ca3 Sb1 164.93(19) 9_554 . ?
Sb1 Ca3 Sb1 109.0(2) 18 . ?
Sb2 Ca3 Ca1 57.90(3) 3_655 25 ?
Sb2 Ca3 Ca1 123.14(4) . 25 ?
Sb3 Ca3 Ca1 99.71(12) . 25 ?
Sb4 Ca3 Ca1 49.15(5) 25 25 ?
Sb4 Ca3 Ca1 113.17(18) 9_554 25 ?
Sb1 Ca3 Ca1 140.30(14) 18 25 ?
Sb1 Ca3 Ca1 55.01(3) . 25 ?
Sb2 Ca3 Ca1 123.14(4) 3_655 28 ?
Sb2 Ca3 Ca1 57.90(3) . 28 ?
Sb3 Ca3 Ca1 99.71(12) . 28 ?
Sb4 Ca3 Ca1 49.15(5) 25 28 ?
Sb4 Ca3 Ca1 113.17(18) 9_554 28 ?
Sb1 Ca3 Ca1 140.30(14) 18 28 ?
Sb1 Ca3 Ca1 55.01(3) . 28 ?
Ca1 Ca3 Ca1 65.31(6) 25 28 ?
Sb2 Ca3 Gd1 57.90(3) 3_655 25 ?
Sb2 Ca3 Gd1 123.14(4) . 25 ?
Sb3 Ca3 Gd1 99.71(12) . 25 ?
Sb4 Ca3 Gd1 49.15(5) 25 25 ?
Sb4 Ca3 Gd1 113.17(18) 9_554 25 ?
Sb1 Ca3 Gd1 140.30(14) 18 25 ?
Sb1 Ca3 Gd1 55.01(3) . 25 ?
Ca1 Ca3 Gd1 0.00(6) 25 25 ?
Ca1 Ca3 Gd1 65.31(6) 28 25 ?
Sb2 Ca3 Gd1 123.14(4) 3_655 28 ?
Sb2 Ca3 Gd1 57.90(3) . 28 ?
Sb3 Ca3 Gd1 99.71(12) . 28 ?
Sb4 Ca3 Gd1 49.15(5) 25 28 ?
Sb4 Ca3 Gd1 113.17(18) 9_554 28 ?
Sb1 Ca3 Gd1 140.30(14) 18 28 ?
Sb1 Ca3 Gd1 55.01(3) . 28 ?
Ca1 Ca3 Gd1 65.31(6) 25 28 ?
Ca1 Ca3 Gd1 0.00(6) 28 28 ?
Gd1 Ca3 Gd1 65.31(6) 25 28 ?
Sb2 Ca3 Ca1 123.14(4) 3_655 11_554 ?
Sb2 Ca3 Ca1 57.90(3) . 11_554 ?
Sb3 Ca3 Ca1 99.71(12) . 11_554 ?
Sb4 Ca3 Ca1 113.17(18) 25 11_554 ?
Sb4 Ca3 Ca1 49.15(5) 9_554 11_554 ?
Sb1 Ca3 Ca1 55.01(3) 18 11_554 ?
Sb1 Ca3 Ca1 140.30(14) . 11_554 ?
Ca1 Ca3 Ca1 160.6(2) 25 11_554 ?
Ca1 Ca3 Ca1 111.15(7) 28 11_554 ?
Gd1 Ca3 Ca1 160.6(2) 25 11_554 ?
Gd1 Ca3 Ca1 111.15(7) 28 11_554 ?
Sb1 Ca4 Sb1 172.88(17) . 2 ?
Sb1 Ca4 Sb1 89.779(10) . 4 ?
Sb1 Ca4 Sb1 89.779(11) 2 4 ?
Sb1 Ca4 Sb1 89.779(10) . 3 ?
Sb1 Ca4 Sb1 89.779(11) 2 3 ?
Sb1 Ca4 Sb1 172.88(17) 4 3 ?
Sb1 Ca4 Sb4 86.44(8) . . ?
Sb1 Ca4 Sb4 86.44(8) 2 . ?
Sb1 Ca4 Sb4 86.44(8) 4 . ?
Sb1 Ca4 Sb4 86.44(8) 3 . ?
Sb1 Ca4 Sb3 130.58(14) . 17 ?
Sb1 Ca4 Sb3 56.55(5) 2 17 ?
Sb1 Ca4 Sb3 92.84(6) 4 17 ?
Sb1 Ca4 Sb3 92.84(6) 3 17 ?
Sb4 Ca4 Sb3 142.99(6) . 17 ?
Sb1 Ca4 Sb3 92.84(6) . 19 ?
Sb1 Ca4 Sb3 92.84(6) 2 19 ?
Sb1 Ca4 Sb3 56.55(5) 4 19 ?
Sb1 Ca4 Sb3 130.58(14) 3 19 ?
Sb4 Ca4 Sb3 142.99(6) . 19 ?
Sb3 Ca4 Sb3 50.39(8) 17 19 ?
Sb1 Ca4 Sb3 92.84(6) . 3 ?
Sb1 Ca4 Sb3 92.84(6) 2 3 ?
Sb1 Ca4 Sb3 130.58(14) 4 3 ?
Sb1 Ca4 Sb3 56.55(5) 3 3 ?
Sb4 Ca4 Sb3 142.99(6) . 3 ?
Sb3 Ca4 Sb3 50.39(8) 17 3 ?
Sb3 Ca4 Sb3 74.03(12) 19 3 ?
Sb1 Ca4 Sb3 56.55(5) . . ?
Sb1 Ca4 Sb3 130.58(14) 2 . ?
Sb1 Ca4 Sb3 92.84(6) 4 . ?
Sb1 Ca4 Sb3 92.84(6) 3 . ?
Sb4 Ca4 Sb3 142.99(6) . . ?
Sb3 Ca4 Sb3 74.03(12) 17 . ?
Sb3 Ca4 Sb3 50.39(8) 19 . ?
Sb3 Ca4 Sb3 50.39(8) 3 . ?
Sb1 Ca4 Ca1 54.61(4) . . ?
Sb1 Ca4 Ca1 119.93(10) 2 . ?
Sb1 Ca4 Ca1 119.93(10) 4 . ?
Sb1 Ca4 Ca1 54.61(4) 3 . ?
Sb4 Ca4 Ca1 49.79(6) . . ?
Sb3 Ca4 Ca1 147.20(4) 17 . ?
Sb3 Ca4 Ca1 147.20(4) 19 . ?
Sb3 Ca4 Ca1 100.98(4) 3 . ?
Sb3 Ca4 Ca1 100.97(4) . . ?
Sb1 Ca4 Ca1 54.61(4) . 4 ?
Sb1 Ca4 Ca1 119.93(10) 2 4 ?
Sb1 Ca4 Ca1 54.61(4) 4 4 ?
Sb1 Ca4 Ca1 119.93(10) 3 4 ?
Sb4 Ca4 Ca1 49.79(6) . 4 ?
Sb3 Ca4 Ca1 147.20(4) 17 4 ?
Sb3 Ca4 Ca1 100.97(4) 19 4 ?
Sb3 Ca4 Ca1 147.20(4) 3 4 ?
Sb3 Ca4 Ca1 100.97(4) . 4 ?
Ca1 Ca4 Ca1 65.37(7) . 4 ?
Sb1 Sb1 Ca2 116.32(3) 25 . ?
Sb1 Sb1 Gd2 116.32(3) 25 4 ?
Ca2 Sb1 Gd2 127.27(7) . 4 ?
Sb1 Sb1 Ca2 116.32(3) 25 4 ?
Ca2 Sb1 Ca2 127.27(7) . 4 ?
Gd2 Sb1 Ca2 0.00(6) 4 4 ?
Sb1 Sb1 Gd1 67.06(3) 25 4 ?
Ca2 Sb1 Gd1 138.14(5) . 4 ?
Gd2 Sb1 Gd1 68.54(4) 4 4 ?
Ca2 Sb1 Gd1 68.54(4) 4 4 ?
Sb1 Sb1 Ca1 67.06(3) 25 4 ?
Ca2 Sb1 Ca1 138.14(5) . 4 ?
Gd2 Sb1 Ca1 68.54(4) 4 4 ?
Ca2 Sb1 Ca1 68.54(4) 4 4 ?
Gd1 Sb1 Ca1 0.00(7) 4 4 ?
Sb1 Sb1 Ca1 67.06(3) 25 . ?
Ca2 Sb1 Ca1 68.54(4) . . ?
Gd2 Sb1 Ca1 138.14(5) 4 . ?
Ca2 Sb1 Ca1 138.14(5) 4 . ?
Gd1 Sb1 Ca1 76.60(6) 4 . ?
Ca1 Sb1 Ca1 76.60(6) 4 . ?
Sb1 Sb1 Ca4 123.49(9) 25 . ?
Ca2 Sb1 Ca4 77.04(5) . . ?
Gd2 Sb1 Ca4 77.04(5) 4 . ?
Ca2 Sb1 Ca4 77.04(5) 4 . ?
Gd1 Sb1 Ca4 69.33(7) 4 . ?
Ca1 Sb1 Ca4 69.33(7) 4 . ?
Ca1 Sb1 Ca4 69.33(7) . . ?
Sb1 Sb1 Ca1 63.10(4) 25 25 ?
Ca2 Sb1 Ca1 136.24(5) . 25 ?
Gd2 Sb1 Ca1 69.32(5) 4 25 ?
Ca2 Sb1 Ca1 69.32(5) 4 25 ?
Gd1 Sb1 Ca1 84.32(6) 4 25 ?
Ca1 Sb1 Ca1 84.32(6) 4 25 ?
Ca1 Sb1 Ca1 130.15(2) . 25 ?
Ca4 Sb1 Ca1 143.11(3) . 25 ?
Sb1 Sb1 Gd1 63.10(4) 25 25 ?
Ca2 Sb1 Gd1 136.24(5) . 25 ?
Gd2 Sb1 Gd1 69.32(5) 4 25 ?
Ca2 Sb1 Gd1 69.32(5) 4 25 ?
Gd1 Sb1 Gd1 84.32(6) 4 25 ?
Ca1 Sb1 Gd1 84.32(6) 4 25 ?
Ca1 Sb1 Gd1 130.15(2) . 25 ?
Ca4 Sb1 Gd1 143.11(3) . 25 ?
Ca1 Sb1 Gd1 0.00(9) 25 25 ?
Gd3 Sb2 Ca3 0.00(17) 19_565 19_565 ?
Gd3 Sb2 Ca3 84.8(3) 19_565 . ?
Ca3 Sb2 Ca3 84.8(3) 19_565 . ?
Gd3 Sb2 Gd2 146.24(3) 19_565 18 ?
Ca3 Sb2 Gd2 146.24(3) 19_565 18 ?
Ca3 Sb2 Gd2 90.82(13) . 18 ?
Gd3 Sb2 Ca2 146.24(3) 19_565 18 ?
Ca3 Sb2 Ca2 146.24(3) 19_565 18 ?
Ca3 Sb2 Ca2 90.82(13) . 18 ?
Gd2 Sb2 Ca2 0.00(5) 18 18 ?
Gd3 Sb2 Gd2 90.82(14) 19_565 2_565 ?
Ca3 Sb2 Gd2 90.82(14) 19_565 2_565 ?
Ca3 Sb2 Gd2 146.23(3) . 2_565 ?
Gd2 Sb2 Gd2 110.12(5) 18 2_565 ?
Ca2 Sb2 Gd2 110.12(5) 18 2_565 ?
Gd3 Sb2 Ca2 90.82(14) 19_565 2_565 ?
Ca3 Sb2 Ca2 90.82(14) 19_565 2_565 ?
Ca3 Sb2 Ca2 146.23(3) . 2_565 ?
Gd2 Sb2 Ca2 110.12(5) 18 2_565 ?
Ca2 Sb2 Ca2 110.12(5) 18 2_565 ?
Gd2 Sb2 Ca2 0.0 2_565 2_565 ?
Gd3 Sb2 Gd2 90.82(13) 19_565 17_565 ?
Ca3 Sb2 Gd2 90.82(13) 19_565 17_565 ?
Ca3 Sb2 Gd2 146.23(3) . 17_565 ?
Gd2 Sb2 Gd2 74.55(6) 18 17_565 ?
Ca2 Sb2 Gd2 74.55(6) 18 17_565 ?
Gd2 Sb2 Gd2 67.07(6) 2_565 17_565 ?
Ca2 Sb2 Gd2 67.07(6) 2_565 17_565 ?
Gd3 Sb2 Ca2 90.82(13) 19_565 17_565 ?
Ca3 Sb2 Ca2 90.82(13) 19_565 17_565 ?
Ca3 Sb2 Ca2 146.23(3) . 17_565 ?
Gd2 Sb2 Ca2 74.55(6) 18 17_565 ?
Ca2 Sb2 Ca2 74.55(6) 18 17_565 ?
Gd2 Sb2 Ca2 67.07(6) 2_565 17_565 ?
Ca2 Sb2 Ca2 67.07(6) 2_565 17_565 ?
Gd2 Sb2 Ca2 0.00(5) 17_565 17_565 ?
Gd3 Sb2 Ca2 146.23(3) 19_565 . ?
Ca3 Sb2 Ca2 146.23(3) 19_565 . ?
Ca3 Sb2 Ca2 90.82(13) . . ?
Gd2 Sb2 Ca2 67.07(6) 18 . ?
Ca2 Sb2 Ca2 67.07(6) 18 . ?
Gd2 Sb2 Ca2 74.55(6) 2_565 . ?
Ca2 Sb2 Ca2 74.55(6) 2_565 . ?
Gd2 Sb2 Ca2 110.12(5) 17_565 . ?
Ca2 Sb2 Ca2 110.12(5) 17_565 . ?
Sb3 Sb3 Sb3 90.0 19 3 ?
Sb3 Sb3 Ca2 137.52(4) 19 . ?
Sb3 Sb3 Ca2 64.10(4) 3 . ?
Sb3 Sb3 Gd2 64.10(4) 19 4 ?
Sb3 Sb3 Gd2 137.52(4) 3 4 ?
Ca2 Sb3 Gd2 112.27(5) . 4 ?
Sb3 Sb3 Ca2 64.10(4) 19 4 ?
Sb3 Sb3 Ca2 137.52(4) 3 4 ?
Ca2 Sb3 Ca2 112.27(5) . 4 ?
Gd2 Sb3 Ca2 0.00(5) 4 4 ?
Sb3 Sb3 Gd2 64.10(4) 19 19 ?
Sb3 Sb3 Gd2 137.52(4) 3 19 ?
Ca2 Sb3 Gd2 155.44(9) . 19 ?
Gd2 Sb3 Gd2 62.00(6) 4 19 ?
Ca2 Sb3 Gd2 62.00(6) 4 19 ?
Sb3 Sb3 Ca2 64.10(4) 19 19 ?
Sb3 Sb3 Ca2 137.52(4) 3 19 ?
Ca2 Sb3 Ca2 155.44(9) . 19 ?
Gd2 Sb3 Ca2 62.00(6) 4 19 ?
Ca2 Sb3 Ca2 62.00(6) 4 19 ?
Gd2 Sb3 Ca2 0.00(6) 19 19 ?
Sb3 Sb3 Ca2 137.52(4) 19 18 ?
Sb3 Sb3 Ca2 64.10(4) 3 18 ?
Ca2 Sb3 Ca2 62.00(6) . 18 ?
Gd2 Sb3 Ca2 155.44(9) 4 18 ?
Ca2 Sb3 Ca2 155.44(9) 4 18 ?
Gd2 Sb3 Ca2 112.27(5) 19 18 ?
Ca2 Sb3 Ca2 112.27(5) 19 18 ?
Sb3 Sb3 Gd2 137.52(4) 19 18 ?
Sb3 Sb3 Gd2 64.10(4) 3 18 ?
Ca2 Sb3 Gd2 62.00(6) . 18 ?
Gd2 Sb3 Gd2 155.44(9) 4 18 ?
Ca2 Sb3 Gd2 155.44(9) 4 18 ?
Gd2 Sb3 Gd2 112.27(5) 19 18 ?
Ca2 Sb3 Gd2 112.27(5) 19 18 ?
Ca2 Sb3 Gd2 0.00(6) 18 18 ?
Sb3 Sb3 Ca4 64.81(4) 19 . ?
Sb3 Sb3 Ca4 64.81(4) 3 . ?
Ca2 Sb3 Ca4 73.55(4) . . ?
Gd2 Sb3 Ca4 73.55(4) 4 . ?
Ca2 Sb3 Ca4 73.55(4) 4 . ?
Gd2 Sb3 Ca4 122.64(4) 19 . ?
Ca2 Sb3 Ca4 122.64(4) 19 . ?
Ca2 Sb3 Ca4 122.64(4) 18 . ?
Gd2 Sb3 Ca4 122.64(4) 18 . ?
Sb3 Sb3 Ca4 64.81(4) 19 17 ?
Sb3 Sb3 Ca4 64.81(4) 3 17 ?
Ca2 Sb3 Ca4 122.64(4) . 17 ?
Gd2 Sb3 Ca4 122.64(4) 4 17 ?
Ca2 Sb3 Ca4 122.64(4) 4 17 ?
Gd2 Sb3 Ca4 73.55(4) 19 17 ?
Ca2 Sb3 Ca4 73.55(4) 19 17 ?
Ca2 Sb3 Ca4 73.55(4) 18 17 ?
Gd2 Sb3 Ca4 73.55(4) 18 17 ?
Ca4 Sb3 Ca4 105.97(12) . 17 ?
Ca1 Sb4 Gd1 84.73(3) . 3 ?
Ca1 Sb4 Gd1 144.71(9) . 2 ?
Gd1 Sb4 Gd1 84.73(3) 3 2 ?
Ca1 Sb4 Ca1 144.71(9) . 2 ?
Gd1 Sb4 Ca1 84.73(3) 3 2 ?
Gd1 Sb4 Ca1 0.00(7) 2 2 ?
Ca1 Sb4 Ca1 84.73(3) . 3 ?
Gd1 Sb4 Ca1 0.00(7) 3 3 ?
Gd1 Sb4 Ca1 84.73(3) 2 3 ?
Ca1 Sb4 Ca1 84.73(3) 2 3 ?
Ca1 Sb4 Gd1 84.73(3) . 4 ?
Gd1 Sb4 Gd1 144.71(9) 3 4 ?
Gd1 Sb4 Gd1 84.73(3) 2 4 ?
Ca1 Sb4 Gd1 84.73(3) 2 4 ?
Ca1 Sb4 Gd1 144.71(9) 3 4 ?
Ca1 Sb4 Ca1 84.73(3) . 4 ?
Gd1 Sb4 Ca1 144.71(9) 3 4 ?
Gd1 Sb4 Ca1 84.73(3) 2 4 ?
Ca1 Sb4 Ca1 84.73(3) 2 4 ?
Ca1 Sb4 Ca1 144.71(9) 3 4 ?
Gd1 Sb4 Ca1 0.00(7) 4 4 ?
Ca1 Sb4 Ca4 72.36(4) . . ?
Gd1 Sb4 Ca4 72.35(4) 3 . ?
Gd1 Sb4 Ca4 72.35(4) 2 . ?
Ca1 Sb4 Ca4 72.35(4) 2 . ?
Ca1 Sb4 Ca4 72.35(4) 3 . ?
Gd1 Sb4 Ca4 72.35(4) 4 . ?
Ca1 Sb4 Ca4 72.35(4) 4 . ?
Ca1 Sb4 Gd3 70.85(6) . 25 ?
Gd1 Sb4 Gd3 135.48(4) 3 25 ?
Gd1 Sb4 Gd3 135.48(4) 2 25 ?
Ca1 Sb4 Gd3 135.48(4) 2 25 ?
Ca1 Sb4 Gd3 135.48(4) 3 25 ?
Gd1 Sb4 Gd3 70.85(6) 4 25 ?
Ca1 Sb4 Gd3 70.85(6) 4 25 ?
Ca4 Sb4 Gd3 129.42(9) . 25 ?
Ca1 Sb4 Ca3 70.85(6) . 25 ?
Gd1 Sb4 Ca3 135.48(4) 3 25 ?
Gd1 Sb4 Ca3 135.48(4) 2 25 ?
Ca1 Sb4 Ca3 135.48(4) 2 25 ?
Ca1 Sb4 Ca3 135.48(4) 3 25 ?
Gd1 Sb4 Ca3 70.85(6) 4 25 ?
Ca1 Sb4 Ca3 70.85(6) 4 25 ?
Ca4 Sb4 Ca3 129.42(9) . 25 ?
Gd3 Sb4 Ca3 0.0(3) 25 25 ?
Ca1 Sb4 Gd3 70.85(6) . 27_455 ?
Gd1 Sb4 Gd3 70.85(6) 3 27_455 ?
Gd1 Sb4 Gd3 135.48(4) 2 27_455 ?
Ca1 Sb4 Gd3 135.48(4) 2 27_455 ?
Ca1 Sb4 Gd3 70.85(6) 3 27_455 ?
Gd1 Sb4 Gd3 135.48(4) 4 27_455 ?
Ca1 Sb4 Gd3 135.48(4) 4 27_455 ?
Ca4 Sb4 Gd3 129.42(8) . 27_455 ?
Gd3 Sb4 Gd3 66.22(9) 25 27_455 ?
Ca3 Sb4 Gd3 66.22(9) 25 27_455 ?
Gd1 Sb5 Gd1 96.43(2) 27_455 2_565 ?
Gd1 Sb5 Ca1 0.00(2) 27_455 27_455 ?
Gd1 Sb5 Ca1 96.43(2) 2_565 27_455 ?
Gd1 Sb5 Ca1 96.43(2) 27_455 2_565 ?
Gd1 Sb5 Ca1 0.00(7) 2_565 2_565 ?
Ca1 Sb5 Ca1 96.43(2) 27_455 2_565 ?
Gd1 Sb5 Gd1 140.89(7) 27_455 28 ?
Gd1 Sb5 Gd1 96.43(2) 2_565 28 ?
Ca1 Sb5 Gd1 140.89(7) 27_455 28 ?
Ca1 Sb5 Gd1 96.43(2) 2_565 28 ?
Gd1 Sb5 Ca1 140.89(7) 27_455 28 ?
Gd1 Sb5 Ca1 96.43(2) 2_565 28 ?
Ca1 Sb5 Ca1 140.89(7) 27_455 28 ?
Ca1 Sb5 Ca1 96.43(2) 2_565 28 ?
Gd1 Sb5 Ca1 0.00(7) 28 28 ?
Gd1 Sb5 Ca1 96.43(2) 27_455 . ?
Gd1 Sb5 Ca1 140.89(7) 2_565 . ?
Ca1 Sb5 Ca1 96.43(2) 27_455 . ?
Ca1 Sb5 Ca1 140.89(7) 2_565 . ?
Gd1 Sb5 Ca1 96.43(2) 28 . ?
Ca1 Sb5 Ca1 96.43(2) 28 . ?
Gd1 Sb5 Ca2 74.58(3) 27_455 . ?
Gd1 Sb5 Ca2 146.95(5) 2_565 . ?
Ca1 Sb5 Ca2 74.58(3) 27_455 . ?
Ca1 Sb5 Ca2 146.95(5) 2_565 . ?
Gd1 Sb5 Ca2 74.58(3) 28 . ?
Ca1 Sb5 Ca2 74.58(3) 28 . ?
Ca1 Sb5 Ca2 72.17(5) . . ?
Gd1 Sb5 Gd2 146.94(5) 27_455 28 ?
Gd1 Sb5 Gd2 74.58(3) 2_565 28 ?
Ca1 Sb5 Gd2 146.94(5) 27_455 28 ?
Ca1 Sb5 Gd2 74.58(3) 2_565 28 ?
Gd1 Sb5 Gd2 72.17(5) 28 28 ?
Ca1 Sb5 Gd2 72.17(5) 28 28 ?
Ca1 Sb5 Gd2 74.58(3) . 28 ?
Ca2 Sb5 Gd2 129.15(4) . 28 ?
Gd1 Sb5 Ca2 146.94(5) 27_455 28 ?
Gd1 Sb5 Ca2 74.58(3) 2_565 28 ?
Ca1 Sb5 Ca2 146.94(5) 27_455 28 ?
Ca1 Sb5 Ca2 74.58(3) 2_565 28 ?
Gd1 Sb5 Ca2 72.17(5) 28 28 ?
Ca1 Sb5 Ca2 72.17(5) 28 28 ?
Ca1 Sb5 Ca2 74.58(3) . 28 ?
Ca2 Sb5 Ca2 129.15(4) . 28 ?
Gd2 Sb5 Ca2 0.00(6) 28 28 ?

_refine_diff_density_max         2.854
_refine_diff_density_min         -2.288
_refine_diff_density_rms         0.206

_shelxl_version_number           2013-3



_exptl_crystal_recrystallization_method Arc-melting
_exptl_crystal_preparation       'Thermoelectric properties'
