# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2178399'
loop_
_audit_author_name
_audit_author_address
'Svilen Bobev'
;University of Delaware
United States of America
;
_audit_update_record             
;
2022-06-10 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;
_audit_creation_date             2021-08-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Sb12 Yb10 Zn6'
_chemical_formula_sum            'Sb12 Yb10 Zn6'
_chemical_formula_weight         3583.62
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_H-M_alt        'C m m m'
_space_group_name_Hall           '-C 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'

_cell_length_a                   7.2712(6)
_cell_length_b                   22.7869(18)
_cell_length_c                   4.5046(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     746.36(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    1893
_cell_measurement_temperature    199.99
_cell_measurement_theta_max      29.50
_cell_measurement_theta_min      2.94
_shelx_estimated_absorpt_T_max   0.153
_shelx_estimated_absorpt_T_min   0.070
_exptl_absorpt_coefficient_mu    46.305
_exptl_absorpt_correction_T_max  0.0983
_exptl_absorpt_correction_T_min  0.0383
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1576 before and 0.0580 after correction.
The Ratio of minimum to maximum transmission is 0.3896.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    7.973
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1492
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-5.00 1.00 1.00 0.0230
1.00 -5.00 1.00 0.0560
-5.00 -3.00 2.00 0.0450
-1.00 4.00 1.00 0.0190
3.00 -1.00 0.00 0.0280
-1.00 2.00 -5.00 0.0420
-1.00 0.00 3.00 0.0300
1.00 0.00 -3.00 0.0490
2.00 -1.00 -5.00 0.0570
-1.00 -2.00 5.00 0.0380
2.00 1.00 0.00 0.0230
0.00 0.00 -1.00 0.0600
0.00 0.00 1.00 0.0260
1.00 1.00 -2.00 0.0300
0.00 -1.00 -2.00 0.0570

_exptl_crystal_size_max          0.122
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.065
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            4580
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.650
_diffrn_reflns_theta_min         1.787
_diffrn_ambient_temperature      199.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.38
_diffrn_source_voltage           46.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                609
_reflns_number_total             645
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.535
_refine_diff_density_min         -2.267
_refine_diff_density_rms         0.555
_refine_ls_extinction_coef       0.00534(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     33
_refine_ls_number_reflns         645
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0250
_refine_ls_restrained_S_all      1.159
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0245P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0554
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: Yb1(0.25) Zn(0.375)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Yb1 Yb 0.0253(5) 0.41228(3) 0.000000 0.0184(6) Uani 0.5 2 d S T P . .
Yb2 Yb 0.250000 0.250000 0.000000 0.01580(17) Uani 1 4 d S T P . .
Yb3 Yb 0.000000 0.000000 0.000000 0.01239(19) Uani 1 8 d S T P . .
Zn Zn 0.1938(2) 0.11826(8) 0.500000 0.0233(3) Uani 0.75 2 d S T P . .
Sb1 Sb 0.000000 0.31235(4) 0.500000 0.0118(2) Uani 1 4 d S T P . .
Sb2 Sb 0.000000 0.13679(4) 0.000000 0.0184(2) Uani 1 4 d S T P . .
Sb3 Sb 0.29950(11) 0.000000 0.500000 0.01239(19) Uani 1 4 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
Yb1 Yb1 0.367(7) 3 ?
Yb1 Zn 3.119(2) 13_556 ?
Yb1 Zn 3.371(3) 15_455 ?
Yb1 Zn 3.119(2) 13 ?
Yb1 Zn 3.371(3) 15_454 ?
Yb1 Sb1 3.2082(9) . ?
Yb1 Sb1 3.2082(9) 1_554 ?
Yb1 Sb2 3.629(3) 13 ?
Yb1 Sb3 3.4297(17) 5_455 ?
Yb1 Sb3 3.4297(17) 5_454 ?
Yb1 Sb3 3.2698(14) 13 ?
Yb1 Sb3 3.2698(14) 13_556 ?
Yb2 Yb2 3.6356(3) 3 ?
Yb2 Yb2 3.6356(3) 3_655 ?
Yb2 Sb1 3.2242(4) 1_554 ?
Yb2 Sb1 3.2242(4) . ?
Yb2 Sb1 3.2242(4) 13_556 ?
Yb2 Sb1 3.2242(4) 13 ?
Yb2 Sb2 3.1558(7) 13 ?
Yb2 Sb2 3.1558(7) . ?
Yb3 Sb2 3.1170(9) 9 ?
Yb3 Sb2 3.1171(9) . ?
Yb3 Sb3 3.1329(6) 9_556 ?
Yb3 Sb3 3.1329(6) 1_554 ?
Yb3 Sb3 3.1329(6) . ?
Yb3 Sb3 3.1329(6) 9 ?
Zn Zn 2.819(3) 3_556 ?
Zn Sb1 2.7306(16) 13_556 ?
Zn Sb2 2.6903(9) 1_556 ?
Zn Sb2 2.6903(9) . ?
Zn Sb3 2.8020(18) . ?
Sb3 Sb3 2.9158(16) 9_656 ?

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
Yb1 Yb1 Zn 130.90(5) 3 13_556 ?
Yb1 Yb1 Zn 44.37(4) 3 15_455 ?
Yb1 Yb1 Zn 44.37(4) 3 15_454 ?
Yb1 Yb1 Zn 130.90(5) 3 13 ?
Yb1 Yb1 Sb1 86.71(6) 3 . ?
Yb1 Yb1 Sb1 86.71(6) 3 1_554 ?
Yb1 Yb1 Sb2 162.04(2) 3 13 ?
Yb1 Yb1 Sb3 112.94(6) 3 13_556 ?
Yb1 Yb1 Sb3 112.94(6) 3 13 ?
Yb1 Yb1 Sb3 61.41(5) 3 5_454 ?
Yb1 Yb1 Sb3 61.41(5) 3 5_455 ?
Zn Yb1 Zn 92.46(9) 13_556 13 ?
Zn Yb1 Zn 154.75(7) 13 15_455 ?
Zn Yb1 Zn 86.54(4) 13_556 15_455 ?
Zn Yb1 Zn 154.75(7) 13_556 15_454 ?
Zn Yb1 Zn 83.84(8) 15_454 15_455 ?
Zn Yb1 Zn 86.54(4) 13 15_454 ?
Zn Yb1 Sb1 112.71(6) 13_556 1_554 ?
Zn Yb1 Sb1 51.11(3) 13_556 . ?
Zn Yb1 Sb1 112.71(6) 13 . ?
Zn Yb1 Sb1 51.11(3) 13 1_554 ?
Zn Yb1 Sb2 46.23(5) 13_556 13 ?
Zn Yb1 Sb2 46.23(5) 13 13 ?
Zn Yb1 Sb2 128.06(4) 15_454 13 ?
Zn Yb1 Sb2 128.06(4) 15_455 13 ?
Zn Yb1 Sb3 88.24(3) 13_556 5_455 ?
Zn Yb1 Sb3 102.53(9) 15_454 5_455 ?
Zn Yb1 Sb3 156.59(6) 13 5_455 ?
Zn Yb1 Sb3 112.25(10) 13_556 13 ?
Zn Yb1 Sb3 51.96(4) 13 13 ?
Zn Yb1 Sb3 102.53(9) 15_455 5_454 ?
Zn Yb1 Sb3 112.25(10) 13 13_556 ?
Zn Yb1 Sb3 51.96(4) 13_556 13_556 ?
Zn Yb1 Sb3 48.66(4) 15_455 5_455 ?
Zn Yb1 Sb3 88.24(3) 13 5_454 ?
Zn Yb1 Sb3 48.66(4) 15_454 5_454 ?
Zn Yb1 Sb3 156.59(6) 13_556 5_454 ?
Sb1 Yb1 Zn 106.35(7) . 15_454 ?
Sb1 Yb1 Zn 48.96(4) . 15_455 ?
Sb1 Yb1 Zn 106.35(7) 1_554 15_455 ?
Sb1 Yb1 Zn 48.97(4) 1_554 15_454 ?
Sb1 Yb1 Sb1 89.18(3) . 1_554 ?
Sb1 Yb1 Sb2 80.54(5) 1_554 13 ?
Sb1 Yb1 Sb2 80.54(5) . 13 ?
Sb1 Yb1 Sb3 88.43(2) 1_554 13 ?
Sb1 Yb1 Sb3 85.71(3) 1_554 5_454 ?
Sb1 Yb1 Sb3 160.02(11) 1_554 13_556 ?
Sb1 Yb1 Sb3 88.43(2) . 13_556 ?
Sb1 Yb1 Sb3 160.02(11) . 13 ?
Sb1 Yb1 Sb3 147.92(11) 1_554 5_455 ?
Sb1 Yb1 Sb3 85.71(3) . 5_455 ?
Sb1 Yb1 Sb3 147.92(11) . 5_454 ?
Sb3 Yb1 Zn 149.88(8) 13 15_455 ?
Sb3 Yb1 Zn 149.88(8) 13_556 15_454 ?
Sb3 Yb1 Zn 86.82(3) 13_556 15_455 ?
Sb3 Yb1 Zn 86.82(3) 13 15_454 ?
Sb3 Yb1 Sb2 129.42(6) 5_455 13 ?
Sb3 Yb1 Sb2 79.49(7) 13 13 ?
Sb3 Yb1 Sb2 129.42(6) 5_454 13 ?
Sb3 Yb1 Sb2 79.49(7) 13_556 13 ?
Sb3 Yb1 Sb3 51.53(3) 13 5_454 ?
Sb3 Yb1 Sb3 106.42(2) 13 5_455 ?
Sb3 Yb1 Sb3 51.53(3) 13_556 5_455 ?
Sb3 Yb1 Sb3 106.42(2) 13_556 5_454 ?
Sb3 Yb1 Sb3 87.07(5) 13_556 13 ?
Sb3 Yb1 Sb3 82.10(5) 5_455 5_454 ?
Yb1 Yb2 Yb1 180.0 15 3 ?
Yb1 Yb2 Yb1 4.58(8) . 3 ?
Yb1 Yb2 Yb1 175.42(8) 13 3 ?
Yb1 Yb2 Yb1 175.42(8) . 15 ?
Yb1 Yb2 Yb1 4.58(8) 13 15 ?
Yb1 Yb2 Yb1 180.0 13 . ?
Yb2 Yb2 Yb1 113.84(4) 3_655 . ?
Yb2 Yb2 Yb1 66.16(4) 3_655 13 ?
Yb2 Yb2 Yb1 61.58(4) 3 3 ?
Yb2 Yb2 Yb1 66.16(4) 3 . ?
Yb2 Yb2 Yb1 61.58(4) 3_655 15 ?
Yb2 Yb2 Yb1 118.42(4) 3 15 ?
Yb2 Yb2 Yb1 113.84(4) 3 13 ?
Yb2 Yb2 Yb1 118.42(4) 3_655 3 ?
Yb2 Yb2 Yb2 180.0 3_655 3 ?
Sb1 Yb2 Yb1 129.12(2) . 13 ?
Sb1 Yb2 Yb1 50.88(2) 1_554 . ?
Sb1 Yb2 Yb1 50.88(2) 13_556 13 ?
Sb1 Yb2 Yb1 129.12(2) 13_556 . ?
Sb1 Yb2 Yb1 130.986(19) 1_554 15 ?
Sb1 Yb2 Yb1 129.12(2) 13 . ?
Sb1 Yb2 Yb1 49.014(19) 1_554 3 ?
Sb1 Yb2 Yb1 49.014(19) 13 15 ?
Sb1 Yb2 Yb1 129.12(2) 1_554 13 ?
Sb1 Yb2 Yb1 130.986(19) 13_556 3 ?
Sb1 Yb2 Yb1 130.986(19) . 15 ?
Sb1 Yb2 Yb1 130.986(19) 13 3 ?
Sb1 Yb2 Yb1 50.88(2) 13 13 ?
Sb1 Yb2 Yb1 49.014(19) 13_556 15 ?
Sb1 Yb2 Yb1 49.014(19) . 3 ?
Sb1 Yb2 Yb1 50.88(2) . . ?
Sb1 Yb2 Yb2 55.681(5) 13_556 3_655 ?
Sb1 Yb2 Yb2 124.319(5) 13_556 3 ?
Sb1 Yb2 Yb2 124.319(5) . 3_655 ?
Sb1 Yb2 Yb2 55.681(5) . 3 ?
Sb1 Yb2 Yb2 55.681(5) 13 3_655 ?
Sb1 Yb2 Yb2 55.681(5) 1_554 3 ?
Sb1 Yb2 Yb2 124.319(5) 1_554 3_655 ?
Sb1 Yb2 Yb2 124.319(5) 13 3 ?
Sb1 Yb2 Sb1 180.00(3) 13_556 1_554 ?
Sb1 Yb2 Sb1 91.377(14) 1_554 13 ?
Sb1 Yb2 Sb1 180.0 13 . ?
Sb1 Yb2 Sb1 88.623(14) 13_556 13 ?
Sb1 Yb2 Sb1 88.623(14) 1_554 . ?
Sb1 Yb2 Sb1 91.377(14) 13_556 . ?
Sb2 Yb2 Yb1 59.01(4) 13 . ?
Sb2 Yb2 Yb1 59.01(4) . 13 ?
Sb2 Yb2 Yb1 120.99(4) 13 13 ?
Sb2 Yb2 Yb1 63.60(4) . 15 ?
Sb2 Yb2 Yb1 116.40(4) . 3 ?
Sb2 Yb2 Yb1 116.40(4) 13 15 ?
Sb2 Yb2 Yb1 63.60(4) 13 3 ?
Sb2 Yb2 Yb1 120.99(4) . . ?
Sb2 Yb2 Yb2 125.171(9) . 3_655 ?
Sb2 Yb2 Yb2 125.171(9) 13 3 ?
Sb2 Yb2 Yb2 54.829(9) . 3 ?
Sb2 Yb2 Yb2 54.829(9) 13 3_655 ?
Sb2 Yb2 Sb1 92.029(14) . 1_554 ?
Sb2 Yb2 Sb1 87.971(14) . 13_556 ?
Sb2 Yb2 Sb1 92.030(14) 13 13 ?
Sb2 Yb2 Sb1 87.970(14) 13 1_554 ?
Sb2 Yb2 Sb1 87.970(14) . 13 ?
Sb2 Yb2 Sb1 92.030(14) 13 13_556 ?
Sb2 Yb2 Sb1 87.969(14) 13 . ?
Sb2 Yb2 Sb1 92.030(14) . . ?
Sb2 Yb2 Sb2 180.0 . 13 ?
Yb1 Yb3 Yb1 122.301(19) 7_545 7_445 ?
Yb1 Yb3 Yb1 119.85(5) 5_445 7_545 ?
Yb1 Yb3 Yb1 57.699(19) 15_455 7_445 ?
Yb1 Yb3 Yb1 122.301(19) 15_455 15 ?
Yb1 Yb3 Yb1 2.45(4) 13 15 ?
Yb1 Yb3 Yb1 60.15(5) 5_445 15_455 ?
Yb1 Yb3 Yb1 2.45(4) 5_445 7_445 ?
Yb1 Yb3 Yb1 177.55(4) 13 7_445 ?
Yb1 Yb3 Yb1 57.699(19) 7_545 15 ?
Yb1 Yb3 Yb1 60.15(5) 13 7_545 ?
Yb1 Yb3 Yb1 180.00(5) 7_545 15_455 ?
Yb1 Yb3 Yb1 119.85(5) 13 15_455 ?
Yb1 Yb3 Yb1 180.00(5) 7_445 15 ?
Yb1 Yb3 Yb1 180.000(18) 5_445 13 ?
Yb1 Yb3 Yb1 177.55(4) 5_445 15 ?
Sb2 Yb3 Yb1 117.63(2) . 7_445 ?
Sb2 Yb3 Yb1 62.37(2) 9 7_445 ?
Sb2 Yb3 Yb1 120.07(3) 9 13 ?
Sb2 Yb3 Yb1 59.93(3) . 13 ?
Sb2 Yb3 Yb1 59.93(3) 9 7_545 ?
Sb2 Yb3 Yb1 62.37(2) . 15 ?
Sb2 Yb3 Yb1 59.93(3) . 15_455 ?
Sb2 Yb3 Yb1 59.93(3) 9 5_445 ?
Sb2 Yb3 Yb1 120.07(3) . 7_545 ?
Sb2 Yb3 Yb1 117.63(2) 9 15 ?
Sb2 Yb3 Yb1 120.07(3) 9 15_455 ?
Sb2 Yb3 Yb1 120.07(3) . 5_445 ?
Sb2 Yb3 Sb2 180.0 9 . ?
Sb2 Yb3 Sb3 90.0 . 1_554 ?
Sb2 Yb3 Sb3 90.0 . 9_556 ?
Sb2 Yb3 Sb3 90.0 9 . ?
Sb2 Yb3 Sb3 90.0 . . ?
Sb2 Yb3 Sb3 90.0 9 9_556 ?
Sb2 Yb3 Sb3 90.0 9 9 ?
Sb2 Yb3 Sb3 90.0 9 1_554 ?
Sb2 Yb3 Sb3 90.0 . 9 ?
Sb3 Yb3 Yb1 53.020(14) 1_554 7_545 ?
Sb3 Yb3 Yb1 126.980(14) . 15_455 ?
Sb3 Yb3 Yb1 53.020(14) . 13 ?
Sb3 Yb3 Yb1 51.986(13) 1_554 15 ?
Sb3 Yb3 Yb1 51.986(13) 9 7_445 ?
Sb3 Yb3 Yb1 53.020(14) 1_554 13 ?
Sb3 Yb3 Yb1 128.014(13) 9 15 ?
Sb3 Yb3 Yb1 53.020(14) 9_556 5_445 ?
Sb3 Yb3 Yb1 126.980(14) 1_554 15_455 ?
Sb3 Yb3 Yb1 126.980(14) 9 13 ?
Sb3 Yb3 Yb1 53.020(14) 9 15_455 ?
Sb3 Yb3 Yb1 126.980(14) 1_554 5_445 ?
Sb3 Yb3 Yb1 126.980(14) 9_556 7_545 ?
Sb3 Yb3 Yb1 53.020(14) . 7_545 ?
Sb3 Yb3 Yb1 128.014(13) 1_554 7_445 ?
Sb3 Yb3 Yb1 126.980(14) . 5_445 ?
Sb3 Yb3 Yb1 128.014(13) . 7_445 ?
Sb3 Yb3 Yb1 53.020(14) 9_556 15_455 ?
Sb3 Yb3 Yb1 126.980(14) 9 7_545 ?
Sb3 Yb3 Yb1 51.986(13) . 15 ?
Sb3 Yb3 Yb1 126.980(14) 9_556 13 ?
Sb3 Yb3 Yb1 128.014(13) 9_556 15 ?
Sb3 Yb3 Yb1 53.020(14) 9 5_445 ?
Sb3 Yb3 Yb1 51.986(13) 9_556 7_445 ?
Sb3 Yb3 Sb3 88.07(2) 9 1_554 ?
Sb3 Yb3 Sb3 88.07(2) 9_556 . ?
Sb3 Yb3 Sb3 180.0 9 . ?
Sb3 Yb3 Sb3 180.00(2) 9_556 1_554 ?
Sb3 Yb3 Sb3 91.93(2) 1_554 . ?
Sb3 Yb3 Sb3 91.93(2) 9 9_556 ?
Yb1 Zn Yb1 4.72(9) 13 15 ?
Yb1 Zn Yb1 83.84(8) 15_556 15 ?
Yb1 Zn Yb1 4.72(9) 13_556 15_556 ?
Yb1 Zn Yb1 88.18(4) 13 15_556 ?
Yb1 Zn Yb1 92.46(9) 13_556 13 ?
Yb1 Zn Yb1 88.18(4) 13_556 15 ?
Zn Zn Yb1 135.63(4) 3_556 15 ?
Zn Zn Yb1 130.91(5) 3_556 13 ?
Zn Zn Yb1 135.63(4) 3_556 15_556 ?
Zn Zn Yb1 130.91(5) 3_556 13_556 ?
Sb1 Zn Yb1 62.40(4) 13_556 15_556 ?
Sb1 Zn Yb1 66.13(5) 13_556 13_556 ?
Sb1 Zn Yb1 62.40(4) 13_556 15 ?
Sb1 Zn Yb1 66.13(5) 13_556 13 ?
Sb1 Zn Zn 144.61(4) 13_556 3_556 ?
Sb1 Zn Sb3 109.48(6) 13_556 . ?
Sb2 Zn Yb1 76.91(4) . 13 ?
Sb2 Zn Yb1 169.30(7) 1_556 13 ?
Sb2 Zn Yb1 76.91(4) 1_556 13_556 ?
Sb2 Zn Yb1 165.07(6) . 15_556 ?
Sb2 Zn Yb1 165.07(6) 1_556 15 ?
Sb2 Zn Yb1 81.23(4) . 15 ?
Sb2 Zn Yb1 169.30(7) . 13_556 ?
Sb2 Zn Yb1 81.23(4) 1_556 15_556 ?
Sb2 Zn Zn 58.40(3) 1_556 3_556 ?
Sb2 Zn Zn 58.41(3) . 3_556 ?
Sb2 Zn Sb1 109.64(4) . 13_556 ?
Sb2 Zn Sb1 109.64(4) 1_556 13_556 ?
Sb2 Zn Sb2 113.69(6) 1_556 . ?
Sb2 Zn Sb3 107.14(5) . . ?
Sb2 Zn Sb3 107.13(5) 1_556 . ?
Sb3 Zn Yb1 66.79(4) . 13_556 ?
Sb3 Zn Yb1 66.77(4) . 15_556 ?
Sb3 Zn Yb1 66.79(4) . 13 ?
Sb3 Zn Yb1 66.77(4) . 15 ?
Sb3 Zn Zn 105.91(4) . 3_556 ?
Yb1 Sb1 Yb1 89.19(3) 3_556 3 ?
Yb1 Sb1 Yb1 89.56(3) 1_556 3 ?
Yb1 Sb1 Yb1 89.56(3) 3_556 . ?
Yb1 Sb1 Yb1 6.56(12) 3 . ?
Yb1 Sb1 Yb1 89.18(3) 1_556 . ?
Yb1 Sb1 Yb1 6.56(12) 1_556 3_556 ?
Yb1 Sb1 Yb2 146.66(6) . 3_556 ?
Yb1 Sb1 Yb2 81.64(4) 3 . ?
Yb1 Sb1 Yb2 140.44(6) 3 3_556 ?
Yb1 Sb1 Yb2 146.67(6) 3_556 . ?
Yb1 Sb1 Yb2 81.64(4) 1_556 3_556 ?
Yb1 Sb1 Yb2 77.88(3) 3_556 3_556 ?
Yb1 Sb1 Yb2 140.44(6) 3_556 3 ?
Yb1 Sb1 Yb2 77.88(3) 3 3 ?
Yb1 Sb1 Yb2 81.64(4) 3_556 1_556 ?
Yb1 Sb1 Yb2 77.88(3) . . ?
Yb1 Sb1 Yb2 146.67(6) 3 1_556 ?
Yb1 Sb1 Yb2 81.64(4) . 3 ?
Yb1 Sb1 Yb2 140.44(6) . 1_556 ?
Yb1 Sb1 Yb2 146.67(6) 1_556 3 ?
Yb1 Sb1 Yb2 77.88(3) 1_556 1_556 ?
Yb1 Sb1 Yb2 140.44(6) 1_556 . ?
Yb2 Sb1 Yb2 127.71(3) 3 1_556 ?
Yb2 Sb1 Yb2 88.622(14) 3 3_556 ?
Yb2 Sb1 Yb2 68.637(11) 3 . ?
Yb2 Sb1 Yb2 127.71(3) . 3_556 ?
Yb2 Sb1 Yb2 68.637(10) 1_556 3_556 ?
Yb2 Sb1 Yb2 88.622(14) 1_556 . ?
Zn Sb1 Yb1 62.76(6) 13_556 . ?
Zn Sb1 Yb1 68.63(6) 13_556 3_556 ?
Zn Sb1 Yb1 68.63(6) 15_455 . ?
Zn Sb1 Yb1 62.76(6) 13_556 1_556 ?
Zn Sb1 Yb1 68.63(6) 13_556 3 ?
Zn Sb1 Yb1 68.63(6) 15_455 1_556 ?
Zn Sb1 Yb1 62.76(6) 15_455 3_556 ?
Zn Sb1 Yb1 62.76(6) 15_455 3 ?
Zn Sb1 Yb2 78.20(3) 13_556 1_556 ?
Zn Sb1 Yb2 135.627(6) 15_455 . ?
Zn Sb1 Yb2 78.20(3) 15_455 3_556 ?
Zn Sb1 Yb2 78.20(3) 13_556 . ?
Zn Sb1 Yb2 135.627(6) 13_556 3_556 ?
Zn Sb1 Yb2 135.627(6) 13_556 3 ?
Zn Sb1 Yb2 135.627(6) 15_455 1_556 ?
Zn Sb1 Yb2 78.20(3) 15_455 3 ?
Zn Sb1 Zn 109.23(8) 13_556 15_455 ?
Yb1 Sb2 Yb1 144.10(5) 15_455 13 ?
Yb2 Sb2 Yb1 143.12(3) . 15_455 ?
Yb2 Sb2 Yb1 143.12(3) 3 13 ?
Yb2 Sb2 Yb1 72.78(2) . 13 ?
Yb2 Sb2 Yb1 72.78(2) 3 15_455 ?
Yb2 Sb2 Yb2 70.343(19) . 3 ?
Yb3 Sb2 Yb1 72.05(2) . 13 ?
Yb3 Sb2 Yb1 72.05(2) . 15_455 ?
Yb3 Sb2 Yb2 144.829(9) . 3 ?
Yb3 Sb2 Yb2 144.829(9) . . ?
Zn Sb2 Yb1 116.74(3) . 15_455 ?
Zn Sb2 Yb1 116.75(3) 1_554 15_455 ?
Zn Sb2 Yb1 56.85(3) . 13 ?
Zn Sb2 Yb1 56.85(3) 3_556 15_455 ?
Zn Sb2 Yb1 56.85(3) 3 15_455 ?
Zn Sb2 Yb1 116.75(3) 3_556 13 ?
Zn Sb2 Yb1 56.85(3) 1_554 13 ?
Zn Sb2 Yb1 116.75(3) 3 13 ?
Zn Sb2 Yb2 115.48(4) . 3 ?
Zn Sb2 Yb2 115.47(4) 3_556 . ?
Zn Sb2 Yb2 80.01(4) 3 3 ?
Zn Sb2 Yb2 80.01(4) 3_556 3 ?
Zn Sb2 Yb2 115.47(4) 1_554 3 ?
Zn Sb2 Yb2 80.01(4) 1_554 . ?
Zn Sb2 Yb2 115.47(4) 3 . ?
Zn Sb2 Yb2 80.01(4) . . ?
Zn Sb2 Yb3 80.97(4) . . ?
Zn Sb2 Yb3 80.97(4) 3_556 . ?
Zn Sb2 Yb3 80.97(4) 3 . ?
Zn Sb2 Yb3 80.97(4) 1_554 . ?
Zn Sb2 Zn 113.69(6) 3 3_556 ?
Zn Sb2 Zn 161.93(8) 3 . ?
Zn Sb2 Zn 113.69(6) 1_554 . ?
Zn Sb2 Zn 63.19(6) 3_556 . ?
Zn Sb2 Zn 161.94(8) 1_554 3_556 ?
Zn Sb2 Zn 63.19(6) 3 1_554 ?
Yb1 Sb3 Yb1 71.30(5) 15_556 5_546 ?
Yb1 Sb3 Yb1 73.59(2) 13_556 5_546 ?
Yb1 Sb3 Yb1 5.66(10) 7_545 5_545 ?
Yb1 Sb3 Yb1 5.66(10) 13_556 15_556 ?
Yb1 Sb3 Yb1 84.81(2) 13 15_556 ?
Yb1 Sb3 Yb1 128.47(3) 13_556 5_545 ?
Yb1 Sb3 Yb1 82.10(5) 5_545 5_546 ?
Yb1 Sb3 Yb1 134.13(11) 13_556 7_545 ?
Yb1 Sb3 Yb1 128.47(3) 13 5_546 ?
Yb1 Sb3 Yb1 73.59(2) 7_546 15_556 ?
Yb1 Sb3 Yb1 122.81(10) 15_556 5_545 ?
Yb1 Sb3 Yb1 75.37(4) 13_556 7_546 ?
Yb1 Sb3 Yb1 84.81(2) 7_545 5_546 ?
Yb1 Sb3 Yb1 84.81(2) 7_546 5_545 ?
Yb1 Sb3 Yb1 134.13(11) 7_546 13 ?
Yb1 Sb3 Yb1 87.07(5) 7_545 7_546 ?
Yb1 Sb3 Yb1 87.07(5) 13_556 13 ?
Yb1 Sb3 Yb1 128.47(3) 7_545 15_556 ?
Yb1 Sb3 Yb1 75.37(4) 7_545 13 ?
Yb1 Sb3 Yb1 73.59(2) 13 5_545 ?
Yb1 Sb3 Yb1 5.66(10) 7_546 5_546 ?
Yb3 Sb3 Yb1 81.99(4) . 5_545 ?
Yb3 Sb3 Yb1 140.00(4) . 13_556 ?
Yb3 Sb3 Yb1 81.99(4) 1_556 15_556 ?
Yb3 Sb3 Yb1 81.99(4) 1_556 5_546 ?
Yb3 Sb3 Yb1 77.04(5) . 13 ?
Yb3 Sb3 Yb1 140.00(4) 1_556 13 ?
Yb3 Sb3 Yb1 77.04(5) 1_556 7_546 ?
Yb3 Sb3 Yb1 143.59(3) 1_556 5_545 ?
Yb3 Sb3 Yb1 77.04(5) . 7_545 ?
Yb3 Sb3 Yb1 77.04(5) 1_556 13_556 ?
Yb3 Sb3 Yb1 143.59(3) . 15_556 ?
Yb3 Sb3 Yb1 140.00(4) . 7_546 ?
Yb3 Sb3 Yb1 143.59(3) . 5_546 ?
Yb3 Sb3 Yb1 140.00(4) 1_556 7_545 ?
Yb3 Sb3 Yb3 91.93(2) . 1_556 ?
Zn Sb3 Yb1 61.25(4) . 13_556 ?
Zn Sb3 Yb1 64.58(4) 11 5_546 ?
Zn Sb3 Yb1 64.58(4) . 15_556 ?
Zn Sb3 Yb1 133.76(2) . 5_546 ?
Zn Sb3 Yb1 61.25(4) 11 7_545 ?
Zn Sb3 Yb1 61.25(4) . 13 ?
Zn Sb3 Yb1 61.25(4) 11 7_546 ?
Zn Sb3 Yb1 64.58(4) 11 5_545 ?
Zn Sb3 Yb1 133.76(2) . 5_545 ?
Zn Sb3 Yb1 134.004(15) 11 13_556 ?
Zn Sb3 Yb1 133.76(2) 11 15_556 ?
Zn Sb3 Yb1 134.004(15) 11 13 ?
Zn Sb3 Yb1 134.005(15) . 7_546 ?
Zn Sb3 Yb1 134.005(15) . 7_545 ?
Zn Sb3 Yb3 79.01(3) . . ?
Zn Sb3 Yb3 79.01(3) 11 . ?
Zn Sb3 Yb3 79.01(3) . 1_556 ?
Zn Sb3 Yb3 79.01(3) 11 1_556 ?
Zn Sb3 Zn 148.18(8) . 11 ?
Zn Sb3 Sb3 105.91(4) 11 9_656 ?
Zn Sb3 Sb3 105.91(4) . 9_656 ?
Sb3 Sb3 Yb1 61.40(5) 9_656 5_545 ?
Sb3 Sb3 Yb1 67.07(6) 9_656 13 ?
Sb3 Sb3 Yb1 61.40(5) 9_656 15_556 ?
Sb3 Sb3 Yb1 67.07(6) 9_656 13_556 ?
Sb3 Sb3 Yb1 61.40(5) 9_656 5_546 ?
Sb3 Sb3 Yb1 67.07(6) 9_656 7_545 ?
Sb3 Sb3 Yb1 67.07(6) 9_656 7_546 ?
Sb3 Sb3 Yb3 134.035(11) 9_656 1_556 ?
Sb3 Sb3 Yb3 134.035(11) 9_656 . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_sad
_database_code_depnum_ccdc_archive 'CCDC 2178400'
loop_
_audit_author_name
_audit_author_address
'Svilen Bobev'
;University of Delaware
United States of America
;
_audit_update_record             
;
2022-06-10 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_sad                 
;
PROBLEM: Check Calcd Resid. Dens.  2.28A   From Bi3             2.62 eA-3  
RESPONSE: Artifact of absorption correction
;
# end Validation Reply Form
_audit_creation_date             2021-08-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'Bi12 Eu10 Mn6.471'
_chemical_formula_sum            'Bi12 Eu10 Mn6.47'
_chemical_formula_weight         4382.82
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_H-M_alt        'C m m m'
_space_group_name_Hall           '-C 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'

_cell_length_a                   7.798(3)
_cell_length_b                   23.903(9)
_cell_length_c                   4.7623(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     887.7(6)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    380
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      20.47
_cell_measurement_theta_min      5.09
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    78.760
_exptl_absorpt_correction_T_max  0.450
_exptl_absorpt_correction_T_min  0.270
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.1291 before and 0.0372 after correction.
The Ratio of minimum to maximum transmission is 0.0842.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    8.199
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.022
_exptl_crystal_size_mid          0.014
_exptl_crystal_size_min          0.01
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1021
_diffrn_reflns_av_unetI/netI     0.0507
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            5882
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.488
_diffrn_reflns_theta_min         1.704
_diffrn_ambient_temperature      200.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                497
_reflns_number_total             627
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         2.374
_refine_diff_density_min         -2.197
_refine_diff_density_rms         0.524
_refine_ls_extinction_coef       0.00020(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     32
_refine_ls_number_reflns         627
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0353
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0252P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0695
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Eu1 Eu 0.000000 0.41525(7) 0.000000 0.0348(4) Uani 1 4 d S T P . .
Eu2 Eu 0.250000 0.250000 0.000000 0.0207(4) Uani 1 4 d S T P . .
Eu3 Eu 0.000000 0.000000 0.000000 0.0213(5) Uani 1 8 d S T P . .
Mn Mn 0.1893(5) 0.11766(15) 0.500000 0.0226(13) Uani 0.809(10) 2 d S T . . .
Bi1 Bi 0.000000 0.31444(5) 0.500000 0.0204(3) Uani 1 4 d S T P . .
Bi2 Bi 0.000000 0.13755(4) 0.000000 0.0223(3) Uani 1 4 d S T P . .
Bi3 Bi 0.29271(15) 0.000000 0.500000 0.0220(3) Uani 1 4 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
Eu1 Eu1 4.052(4) 9_565 ?
Eu1 Mn 3.487(3) 15_455 ?
Eu1 Mn 3.487(3) 15_454 ?
Eu1 Mn 3.487(3) 13_556 ?
Eu1 Mn 3.487(3) 13 ?
Eu1 Bi1 3.3876(17) . ?
Eu1 Bi1 3.3876(17) 1_554 ?
Eu1 Bi2 4.0982(15) 13_455 ?
Eu1 Bi3 3.5195(13) 13 ?
Eu1 Bi3 3.5195(13) 13_556 ?
Eu1 Bi3 3.5195(13) 5_455 ?
Eu1 Bi3 3.5195(13) 5_454 ?
Eu2 Eu2 3.8990(14) 3 ?
Eu2 Eu2 3.8990(14) 3_655 ?
Eu2 Bi1 3.4414(9) 13_556 ?
Eu2 Bi1 3.4414(9) 13 ?
Eu2 Bi1 3.4414(9) . ?
Eu2 Bi1 3.4414(9) 1_554 ?
Eu2 Bi2 3.3204(12) . ?
Eu2 Bi2 3.3204(12) 13 ?
Eu3 Bi2 3.2880(16) . ?
Eu3 Bi2 3.2880(16) 9 ?
Eu3 Bi3 3.2985(12) 9_556 ?
Eu3 Bi3 3.2985(12) . ?
Eu3 Bi3 3.2985(12) 9 ?
Eu3 Bi3 3.2985(12) 1_554 ?
Mn Mn 2.953(8) 3_556 ?
Mn Bi1 2.916(4) 13_556 ?
Mn Bi2 2.842(2) 1_556 ?
Mn Bi2 2.842(2) . ?
Mn Bi3 2.926(4) . ?
Bi3 Bi3 3.233(3) 9_656 ?

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
Eu1 Eu1 Bi2 107.94(3) 9_565 13_455 ?
Mn Eu1 Eu1 103.04(7) 15_455 9_565 ?
Mn Eu1 Eu1 103.04(7) 13 9_565 ?
Mn Eu1 Eu1 103.04(7) 13_556 9_565 ?
Mn Eu1 Eu1 103.04(7) 15_454 9_565 ?
Mn Eu1 Mn 153.92(13) 15_455 13 ?
Mn Eu1 Mn 86.14(9) 13_556 13 ?
Mn Eu1 Mn 88.02(10) 13_556 15_455 ?
Mn Eu1 Mn 153.92(13) 15_454 13_556 ?
Mn Eu1 Mn 86.14(9) 15_454 15_455 ?
Mn Eu1 Mn 88.02(10) 15_454 13 ?
Mn Eu1 Bi2 43.07(5) 15_455 13_455 ?
Mn Eu1 Bi2 126.27(6) 13_556 13_455 ?
Mn Eu1 Bi2 126.27(6) 13 13_455 ?
Mn Eu1 Bi2 43.07(5) 15_454 13_455 ?
Mn Eu1 Bi3 155.64(8) 15_454 13_556 ?
Mn Eu1 Bi3 49.36(6) 15_454 5_454 ?
Mn Eu1 Bi3 105.83(6) 13_556 13 ?
Mn Eu1 Bi3 49.36(6) 13_556 13_556 ?
Mn Eu1 Bi3 105.83(6) 15_455 5_454 ?
Mn Eu1 Bi3 89.25(5) 15_455 13_556 ?
Mn Eu1 Bi3 49.36(6) 13 13 ?
Mn Eu1 Bi3 105.83(6) 13 13_556 ?
Mn Eu1 Bi3 155.64(8) 13_556 5_454 ?
Mn Eu1 Bi3 105.83(6) 15_454 5_455 ?
Mn Eu1 Bi3 89.25(5) 13 5_454 ?
Mn Eu1 Bi3 89.25(5) 13_556 5_455 ?
Mn Eu1 Bi3 155.64(8) 15_455 13 ?
Mn Eu1 Bi3 49.36(6) 15_455 5_455 ?
Mn Eu1 Bi3 155.64(8) 13 5_455 ?
Mn Eu1 Bi3 89.25(5) 15_454 13 ?
Bi1 Eu1 Eu1 135.34(3) . 9_565 ?
Bi1 Eu1 Eu1 135.34(3) 1_554 9_565 ?
Bi1 Eu1 Mn 50.17(6) . 13_556 ?
Bi1 Eu1 Mn 108.64(7) . 13 ?
Bi1 Eu1 Mn 50.17(6) 1_554 15_454 ?
Bi1 Eu1 Mn 50.17(6) . 15_455 ?
Bi1 Eu1 Mn 50.17(6) 1_554 13 ?
Bi1 Eu1 Mn 108.64(7) 1_554 15_455 ?
Bi1 Eu1 Mn 108.64(7) . 15_454 ?
Bi1 Eu1 Mn 108.64(7) 1_554 13_556 ?
Bi1 Eu1 Bi1 89.32(6) . 1_554 ?
Bi1 Eu1 Bi2 77.35(2) 1_554 13_455 ?
Bi1 Eu1 Bi2 77.35(2) . 13_455 ?
Bi1 Eu1 Bi3 152.25(2) 1_554 13_556 ?
Bi1 Eu1 Bi3 86.21(3) . 13_556 ?
Bi1 Eu1 Bi3 86.21(3) 1_554 5_454 ?
Bi1 Eu1 Bi3 86.21(3) 1_554 13 ?
Bi1 Eu1 Bi3 152.25(2) 1_554 5_455 ?
Bi1 Eu1 Bi3 86.21(3) . 5_455 ?
Bi1 Eu1 Bi3 152.25(2) . 13 ?
Bi1 Eu1 Bi3 152.25(2) . 5_454 ?
Bi3 Eu1 Eu1 54.86(3) 5_455 9_565 ?
Bi3 Eu1 Eu1 54.86(3) 13_556 9_565 ?
Bi3 Eu1 Eu1 54.86(3) 5_454 9_565 ?
Bi3 Eu1 Eu1 54.86(3) 13 9_565 ?
Bi3 Eu1 Bi2 74.95(3) 5_454 13_455 ?
Bi3 Eu1 Bi2 127.90(2) 13 13_455 ?
Bi3 Eu1 Bi2 74.95(3) 5_455 13_455 ?
Bi3 Eu1 Bi2 127.90(2) 13_556 13_455 ?
Bi3 Eu1 Bi3 109.72(5) 5_455 13 ?
Bi3 Eu1 Bi3 85.15(4) 5_455 5_454 ?
Bi3 Eu1 Bi3 54.68(4) 13_556 5_455 ?
Bi3 Eu1 Bi3 54.68(4) 5_454 13 ?
Bi3 Eu1 Bi3 109.72(5) 13_556 5_454 ?
Bi3 Eu1 Bi3 85.15(4) 13_556 13 ?
Eu1 Eu2 Eu1 180.0 . 13 ?
Eu2 Eu2 Eu1 116.268(15) 3_655 . ?
Eu2 Eu2 Eu1 116.268(15) 3 13 ?
Eu2 Eu2 Eu1 63.732(15) 3 . ?
Eu2 Eu2 Eu1 63.732(15) 3_655 13 ?
Eu2 Eu2 Eu2 180.0 3_655 3 ?
Bi1 Eu2 Eu1 130.700(18) . 13 ?
Bi1 Eu2 Eu1 130.700(19) 1_554 13 ?
Bi1 Eu2 Eu1 130.700(18) 13_556 . ?
Bi1 Eu2 Eu1 49.300(18) 13_556 13 ?
Bi1 Eu2 Eu1 49.300(19) 1_554 . ?
Bi1 Eu2 Eu1 49.300(19) 13 13 ?
Bi1 Eu2 Eu1 130.700(19) 13 . ?
Bi1 Eu2 Eu1 49.300(18) . . ?
Bi1 Eu2 Eu2 55.495(14) 13 3_655 ?
Bi1 Eu2 Eu2 124.505(14) . 3_655 ?
Bi1 Eu2 Eu2 124.505(14) 13 3 ?
Bi1 Eu2 Eu2 55.495(14) 1_554 3 ?
Bi1 Eu2 Eu2 124.505(14) 1_554 3_655 ?
Bi1 Eu2 Eu2 55.495(14) . 3 ?
Bi1 Eu2 Eu2 124.505(14) 13_556 3 ?
Bi1 Eu2 Eu2 55.495(14) 13_556 3_655 ?
Bi1 Eu2 Bi1 180.00(3) 13_556 1_554 ?
Bi1 Eu2 Bi1 180.0 13 . ?
Bi1 Eu2 Bi1 92.44(3) 13_556 . ?
Bi1 Eu2 Bi1 87.56(3) 13_556 13 ?
Bi1 Eu2 Bi1 92.44(3) 1_554 13 ?
Bi1 Eu2 Bi1 87.56(3) 1_554 . ?
Bi2 Eu2 Eu1 62.22(3) 13 . ?
Bi2 Eu2 Eu1 62.22(3) . 13 ?
Bi2 Eu2 Eu1 117.78(3) . . ?
Bi2 Eu2 Eu1 117.78(3) 13 13 ?
Bi2 Eu2 Eu2 54.046(18) . 3 ?
Bi2 Eu2 Eu2 125.954(18) . 3_655 ?
Bi2 Eu2 Eu2 54.046(18) 13 3_655 ?
Bi2 Eu2 Eu2 125.954(18) 13 3 ?
Bi2 Eu2 Bi1 91.70(3) . 1_554 ?
Bi2 Eu2 Bi1 88.30(3) 13 1_554 ?
Bi2 Eu2 Bi1 88.30(3) . 13_556 ?
Bi2 Eu2 Bi1 88.30(3) 13 . ?
Bi2 Eu2 Bi1 91.70(3) 13 13_556 ?
Bi2 Eu2 Bi1 88.30(3) . 13 ?
Bi2 Eu2 Bi1 91.70(3) . . ?
Bi2 Eu2 Bi1 91.70(3) 13 13 ?
Bi2 Eu2 Bi2 180.0 13 . ?
Eu1 Eu3 Eu1 125.09(4) 13 13_455 ?
Eu1 Eu3 Eu1 54.91(4) 5_445 13_455 ?
Eu1 Eu3 Eu1 125.09(4) 5_445 5_545 ?
Eu1 Eu3 Eu1 180.00(4) 5_545 13_455 ?
Eu1 Eu3 Eu1 54.91(4) 13 5_545 ?
Eu1 Eu3 Eu1 180.00(4) 5_445 13 ?
Bi2 Eu3 Eu1 117.45(2) . 5_445 ?
Bi2 Eu3 Eu1 62.55(2) 9 5_545 ?
Bi2 Eu3 Eu1 117.45(2) 9 13_455 ?
Bi2 Eu3 Eu1 62.55(2) 9 5_445 ?
Bi2 Eu3 Eu1 62.55(2) . 13_455 ?
Bi2 Eu3 Eu1 62.55(2) . 13 ?
Bi2 Eu3 Eu1 117.45(2) . 5_545 ?
Bi2 Eu3 Eu1 117.45(2) 9 13 ?
Bi2 Eu3 Bi2 180.0 . 9 ?
Bi2 Eu3 Bi3 90.0 9 . ?
Bi2 Eu3 Bi3 90.0 9 9 ?
Bi2 Eu3 Bi3 90.0 9 1_554 ?
Bi2 Eu3 Bi3 90.0 . . ?
Bi2 Eu3 Bi3 90.0 . 1_554 ?
Bi2 Eu3 Bi3 90.0 9 9_556 ?
Bi2 Eu3 Bi3 90.0 . 9 ?
Bi2 Eu3 Bi3 90.0 . 9_556 ?
Bi3 Eu3 Eu1 127.88(2) 9 13 ?
Bi3 Eu3 Eu1 52.12(2) 9 5_445 ?
Bi3 Eu3 Eu1 52.12(2) 9_556 13_455 ?
Bi3 Eu3 Eu1 127.88(2) 9_556 13 ?
Bi3 Eu3 Eu1 127.88(2) 1_554 5_445 ?
Bi3 Eu3 Eu1 52.12(2) 1_554 13 ?
Bi3 Eu3 Eu1 127.88(2) . 5_445 ?
Bi3 Eu3 Eu1 52.12(2) . 13 ?
Bi3 Eu3 Eu1 52.12(2) 9_556 5_445 ?
Bi3 Eu3 Eu1 127.88(2) 9 5_545 ?
Bi3 Eu3 Eu1 52.12(2) 9 13_455 ?
Bi3 Eu3 Eu1 127.88(2) 9_556 5_545 ?
Bi3 Eu3 Eu1 127.88(2) . 13_455 ?
Bi3 Eu3 Eu1 52.12(2) 1_554 5_545 ?
Bi3 Eu3 Eu1 52.12(2) . 5_545 ?
Bi3 Eu3 Eu1 127.88(2) 1_554 13_455 ?
Bi3 Eu3 Bi3 92.42(4) 9 9_556 ?
Bi3 Eu3 Bi3 87.58(4) 9_556 . ?
Bi3 Eu3 Bi3 180.0 9 . ?
Bi3 Eu3 Bi3 180.00(3) 9_556 1_554 ?
Bi3 Eu3 Bi3 92.42(4) 1_554 . ?
Bi3 Eu3 Bi3 87.58(4) 9 1_554 ?
Eu1 Mn Eu1 86.14(9) 13_556 13 ?
Mn Mn Eu1 134.01(5) 3_556 13 ?
Mn Mn Eu1 134.01(5) 3_556 13_556 ?
Bi1 Mn Eu1 63.15(7) 13_556 13_556 ?
Bi1 Mn Eu1 63.15(7) 13_556 13 ?
Bi1 Mn Mn 146.18(8) 13_556 3_556 ?
Bi1 Mn Bi3 107.82(13) 13_556 . ?
Bi2 Mn Eu1 80.01(4) 1_556 13_556 ?
Bi2 Mn Eu1 80.01(4) . 13 ?
Bi2 Mn Eu1 166.15(11) 1_556 13 ?
Bi2 Mn Eu1 166.15(11) . 13_556 ?
Bi2 Mn Mn 58.70(7) . 3_556 ?
Bi2 Mn Mn 58.70(7) 1_556 3_556 ?
Bi2 Mn Bi1 109.78(9) . 13_556 ?
Bi2 Mn Bi1 109.78(9) 1_556 13_556 ?
Bi2 Mn Bi2 113.84(13) . 1_556 ?
Bi2 Mn Bi3 107.70(9) . . ?
Bi2 Mn Bi3 107.70(9) 1_556 . ?
Bi3 Mn Eu1 65.90(7) . 13 ?
Bi3 Mn Eu1 65.90(7) . 13_556 ?
Bi3 Mn Mn 105.99(8) . 3_556 ?
Eu1 Bi1 Eu1 89.32(6) . 1_556 ?
Eu1 Bi1 Eu2 143.58(2) 1_556 3 ?
Eu1 Bi1 Eu2 143.58(2) 1_556 . ?
Eu1 Bi1 Eu2 80.33(3) . 3 ?
Eu1 Bi1 Eu2 80.33(3) 1_556 3_556 ?
Eu1 Bi1 Eu2 143.58(2) . 3_556 ?
Eu1 Bi1 Eu2 80.33(3) 1_556 1_556 ?
Eu1 Bi1 Eu2 80.33(3) . . ?
Eu1 Bi1 Eu2 143.58(2) . 1_556 ?
Eu2 Bi1 Eu2 126.82(4) 3 1_556 ?
Eu2 Bi1 Eu2 87.56(3) 1_556 . ?
Eu2 Bi1 Eu2 69.01(3) 1_556 3_556 ?
Eu2 Bi1 Eu2 126.82(4) . 3_556 ?
Eu2 Bi1 Eu2 87.56(3) 3 3_556 ?
Eu2 Bi1 Eu2 69.01(3) 3 . ?
Mn Bi1 Eu1 66.68(5) 15_455 . ?
Mn Bi1 Eu1 66.68(5) 13_556 . ?
Mn Bi1 Eu1 66.68(5) 15_455 1_556 ?
Mn Bi1 Eu1 66.68(5) 13_556 1_556 ?
Mn Bi1 Eu2 77.20(6) 13_556 . ?
Mn Bi1 Eu2 77.20(6) 15_455 3 ?
Mn Bi1 Eu2 136.035(15) 15_455 1_556 ?
Mn Bi1 Eu2 136.035(15) 15_455 . ?
Mn Bi1 Eu2 136.035(15) 13_556 3 ?
Mn Bi1 Eu2 136.035(15) 13_556 3_556 ?
Mn Bi1 Eu2 77.20(6) 15_455 3_556 ?
Mn Bi1 Eu2 77.20(6) 13_556 1_556 ?
Mn Bi1 Mn 112.36(15) 13_556 15_455 ?
Eu1 Bi2 Eu1 144.12(5) 13_455 13 ?
Eu2 Bi2 Eu1 143.89(3) 3 13 ?
Eu2 Bi2 Eu1 71.98(3) . 13 ?
Eu2 Bi2 Eu1 143.89(3) . 13_455 ?
Eu2 Bi2 Eu1 71.98(3) 3 13_455 ?
Eu2 Bi2 Eu2 71.91(4) . 3 ?
Eu3 Bi2 Eu1 72.06(3) . 13_455 ?
Eu3 Bi2 Eu1 72.06(3) . 13 ?
Eu3 Bi2 Eu2 144.046(18) . 3 ?
Eu3 Bi2 Eu2 144.047(18) . . ?
Mn Bi2 Eu1 116.28(7) 3_556 13 ?
Mn Bi2 Eu1 56.92(7) 3_556 13_455 ?
Mn Bi2 Eu1 56.92(7) 3 13_455 ?
Mn Bi2 Eu1 56.92(7) . 13 ?
Mn Bi2 Eu1 116.28(7) 1_554 13_455 ?
Mn Bi2 Eu1 116.28(7) . 13_455 ?
Mn Bi2 Eu1 56.92(7) 1_554 13 ?
Mn Bi2 Eu1 116.28(7) 3 13 ?
Mn Bi2 Eu2 80.24(8) 3_556 3 ?
Mn Bi2 Eu2 116.14(7) 3_556 . ?
Mn Bi2 Eu2 80.24(8) 3 3 ?
Mn Bi2 Eu2 80.24(8) . . ?
Mn Bi2 Eu2 116.14(7) . 3 ?
Mn Bi2 Eu2 116.14(7) 3 . ?
Mn Bi2 Eu2 116.14(7) 1_554 3 ?
Mn Bi2 Eu2 80.24(8) 1_554 . ?
Mn Bi2 Eu3 80.37(8) 3 . ?
Mn Bi2 Eu3 80.37(8) 3_556 . ?
Mn Bi2 Eu3 80.37(8) 1_554 . ?
Mn Bi2 Eu3 80.37(8) . . ?
Mn Bi2 Mn 113.84(13) . 1_554 ?
Mn Bi2 Mn 160.73(15) . 3 ?
Mn Bi2 Mn 160.73(15) 1_554 3_556 ?
Mn Bi2 Mn 62.60(14) 3 1_554 ?
Mn Bi2 Mn 62.60(14) . 3_556 ?
Mn Bi2 Mn 113.84(13) 3 3_556 ?
Eu1 Bi3 Eu1 85.15(4) 13_556 13 ?
Eu1 Bi3 Eu1 70.28(5) 5_545 13 ?
Eu1 Bi3 Eu1 125.32(4) 13_556 5_545 ?
Eu1 Bi3 Eu1 85.15(4) 5_545 5_546 ?
Eu1 Bi3 Eu1 70.28(5) 13_556 5_546 ?
Eu1 Bi3 Eu1 125.32(4) 5_546 13 ?
Eu3 Bi3 Eu1 80.18(2) . 13 ?
Eu3 Bi3 Eu1 80.18(2) 1_556 5_546 ?
Eu3 Bi3 Eu1 143.73(3) . 5_546 ?
Eu3 Bi3 Eu1 143.73(3) 1_556 13 ?
Eu3 Bi3 Eu1 80.18(2) . 5_545 ?
Eu3 Bi3 Eu1 143.73(3) 1_556 5_545 ?
Eu3 Bi3 Eu1 80.18(2) 1_556 13_556 ?
Eu3 Bi3 Eu1 143.73(3) . 13_556 ?
Eu3 Bi3 Eu3 92.42(4) . 1_556 ?
Mn Bi3 Eu1 132.83(4) 11 13 ?
Mn Bi3 Eu1 64.74(6) 11 5_545 ?
Mn Bi3 Eu1 132.83(4) . 5_546 ?
Mn Bi3 Eu1 64.74(6) . 13 ?
Mn Bi3 Eu1 64.74(6) . 13_556 ?
Mn Bi3 Eu1 132.83(4) . 5_545 ?
Mn Bi3 Eu1 132.83(4) 11 13_556 ?
Mn Bi3 Eu1 64.74(6) 11 5_546 ?
Mn Bi3 Eu3 79.01(5) . 1_556 ?
Mn Bi3 Eu3 79.01(5) . . ?
Mn Bi3 Eu3 79.01(5) 11 . ?
Mn Bi3 Eu3 79.01(5) 11 1_556 ?
Mn Bi3 Mn 148.01(16) . 11 ?
Mn Bi3 Bi3 105.99(8) 11 9_656 ?
Mn Bi3 Bi3 105.99(8) . 9_656 ?
Bi3 Bi3 Eu1 62.66(2) 9_656 13 ?
Bi3 Bi3 Eu1 62.66(2) 9_656 5_545 ?
Bi3 Bi3 Eu1 62.66(2) 9_656 5_546 ?
Bi3 Bi3 Eu1 62.66(2) 9_656 13_556 ?
Bi3 Bi3 Eu3 133.79(2) 9_656 1_556 ?
Bi3 Bi3 Eu3 133.79(2) 9_656 . ?

_olex2_submission_special_instructions 'No special instructions were received'
