# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
# 
#######################################################################

data_exp_97630
_database_code_depnum_ccdc_archive 'CCDC 2114586'
loop_
_audit_author_name
_audit_author_address
'Meihong Duan'
;China West Normal University
China
;
_audit_update_record             
;
2021-10-08 deposited with the CCDC.	2021-11-23 downloaded from the CCDC.
;
_audit_creation_date             2021-02-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(Ba8 Bi8 O64 P16 Zn4)'
_chemical_formula_sum            'Ba2 Bi2 O16 P4 Zn'
_chemical_formula_weight         1137.89
_chemical_melting_point          ?
_chemical_oxdiff_formula         Ba2Bi2ZnP4O16
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   8.9828(11)
_cell_length_b                   15.7117(17)
_cell_length_c                   10.1498(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1432.5(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3337
_cell_measurement_temperature    294.4(3)
_cell_measurement_theta_max      29.5200
_cell_measurement_theta_min      4.7400
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    32.090
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.19613
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    5.276
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1984
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -21 3 0.0588
-1 -1 14 0.0178
8 -17 -1 0.0582
5 -14 9 0.0400
-7 12 9 0.0427
1 3 -14 0.0129
7 -6 12 0.0301
-8 2 11 0.0344
11 0 7 0.0520
-9 -2 10 0.0366
7 17 5 0.0517
-1 -4 14 0.0178
-4 -12 11 0.0363
-7 -18 3 0.0608
-1 -8 13 0.0235
-3 7 13 0.0253
-5 3 13 0.0246
1 2 -14 0.0129
1 0 14 0.0197

_exptl_crystal_size_max          0.141
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.031
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.3279 -21.4792 3.4814 -0.6808 0.6442 0.3488
-0.7576 -0.6778 14.2827 0.0582 -0.0572 0.9967
7.9221 -17.2337 -0.8650 -0.9915 0.1297 -0.0089
5.3184 -14.3231 9.1186 -0.7270 0.0939 0.6801
-6.6908 12.1249 9.2916 0.7832 -0.1035 0.6131
0.6231 2.5583 -14.2015 0.0084 0.0034 -1.0000
6.7193 -5.5045 11.6030 -0.5250 -0.2873 0.8011
-8.4966 2.0096 10.5281 0.5732 0.3103 0.7584
11.1043 -0.2135 6.8779 -0.6214 -0.6571 0.4267
-8.8183 -2.4437 10.1420 0.4514 0.4744 0.7557
6.5378 17.1995 5.1707 0.1782 -0.9540 0.2410
-1.3112 -3.9421 14.0072 -0.0130 0.0804 0.9967
-4.2807 -11.7369 11.1278 -0.0947 0.5176 0.8504
-6.8274 -18.2220 2.5561 -0.1740 0.9376 0.3010
-0.5632 -8.2398 13.2710 -0.1916 0.1841 0.9640
-2.7117 7.1786 13.1921 0.4121 -0.1943 0.8902
-4.9343 2.6054 13.0735 0.3955 0.0752 0.9154
0.8404 2.3987 -14.1987 -0.0089 -0.0034 -1.0000
0.8212 -0.3542 14.2841 -0.0216 -0.1538 0.9879

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0905
_diffrn_reflns_av_unetI/netI     0.0594
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.916
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12720
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.916
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.674
_diffrn_reflns_theta_min         2.389
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.4(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3468
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -66.00  39.00   1.00   11.61    --    8.87 -19.00  30.00  105
  2  ω    -12.00  41.00   1.00   11.61    --    8.87 -99.00 -30.00   53
  3  ω    -16.00  77.00   1.00   11.61    --    8.87  57.00-150.00   93
  4  ω    -33.00  16.00   1.00   11.61    --   -9.49 -77.00 -60.00   49
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0569306000
_diffrn_orient_matrix_UB_12      0.0312358000
_diffrn_orient_matrix_UB_13      0.0025369000
_diffrn_orient_matrix_UB_21      -0.0545757000
_diffrn_orient_matrix_UB_22      -0.0321895000
_diffrn_orient_matrix_UB_23      -0.0084307000
_diffrn_orient_matrix_UB_31      -0.0045960000
_diffrn_orient_matrix_UB_32      -0.0050756000
_diffrn_orient_matrix_UB_33      0.0692963000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1576
_reflns_number_total             1918
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.550
_refine_diff_density_min         -1.952
_refine_diff_density_rms         0.402
_refine_ls_extinction_coef       0.00222(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     125
_refine_ls_number_reflns         1918
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0317
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0117P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0555
_refine_ls_wR_factor_ref         0.0605
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O9) \\sim Ueq, Uanis(O3) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
;
_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
Bi1 Bi 0.56166(3) 0.61306(2) 0.32924(2) 0.00777(11) Uani 1 1 d . . . . .
Ba1 Ba 0.91275(5) 0.39142(3) 0.38812(4) 0.01142(13) Uani 1 1 d . . . . .
Zn1 Zn 0.25455(14) 0.250000 0.34571(12) 0.0138(3) Uani 1 2 d S T P . .
P3 P 0.5928(3) 0.250000 0.4322(2) 0.0066(5) Uani 1 2 d S T P . .
P2 P 0.1337(3) 0.250000 0.6015(2) 0.0094(6) Uani 1 2 d S T P . .
P1 P 0.2677(2) 0.47664(12) 0.39393(17) 0.0079(4) Uani 1 1 d . . . . .
O7 O 0.3044(9) 0.250000 0.5917(8) 0.0222(19) Uani 1 2 d S T P . .
O1 O 0.3990(6) 0.5100(4) 0.3126(5) 0.0192(13) Uani 1 1 d . . . . .
O6 O 0.0743(8) 0.250000 0.4579(7) 0.0133(16) Uani 1 2 d S T P . .
O10 O 0.7418(8) 0.250000 0.3546(6) 0.0098(15) Uani 1 2 d S T P . .
O9 O 0.5921(6) 0.3317(3) 0.5166(5) 0.0176(13) Uani 1 1 d . U . . .
O2 O 0.1310(6) 0.5330(3) 0.3740(5) 0.0144(12) Uani 1 1 d . . . . .
O8 O 0.4706(9) 0.250000 0.3299(7) 0.0179(18) Uani 1 2 d S T P . .
O3 O 0.3031(6) 0.4791(3) 0.5404(4) 0.0162(12) Uani 1 1 d . U . . .
O4 O 0.2345(6) 0.3880(3) 0.3418(5) 0.0143(12) Uani 1 1 d . . . . .
O5 O 0.0820(8) 0.3304(5) 0.6671(6) 0.0400(19) Uani 1 1 d . . . . .


_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
Bi1 O7 2.592(4) 5_666 ?
Bi1 O1 2.187(5) . ?
Bi1 O9 2.261(5) 5_666 ?
Bi1 O2 2.495(5) 6_656 ?
Bi1 O3 2.307(5) 5_666 ?
Bi1 O5 2.272(6) 2_564 ?
Ba1 P1 3.4183(19) 6_656 ?
Ba1 P1 3.4379(19) 5_666 ?
Ba1 O1 2.763(5) 6_656 ?
Ba1 O6 2.747(4) 1_655 ?
Ba1 O10 2.722(4) . ?
Ba1 O9 3.298(5) . ?
Ba1 O2 2.969(5) 1_655 ?
Ba1 O2 2.719(5) 5_666 ?
Ba1 O8 3.179(5) 6_656 ?
Ba1 O3 2.903(5) 5_666 ?
Ba1 O4 2.830(5) 6_656 ?
Ba1 O4 2.929(6) 1_655 ?
Zn1 P2 2.814(3) . ?
Zn1 O6 1.980(7) . ?
Zn1 O10 2.036(6) 6_556 ?
Zn1 O8 1.948(8) . ?
Zn1 O4 2.175(5) 7_565 ?
Zn1 O4 2.175(5) . ?
P3 O10 1.554(7) . ?
P3 O9 1.543(5) . ?
P3 O9 1.543(5) 7_565 ?
P3 O8 1.511(7) . ?
P2 O7 1.537(8) . ?
P2 O6 1.551(7) . ?
P2 O5 1.502(6) 7_565 ?
P2 O5 1.502(6) . ?
P1 O1 1.532(5) . ?
P1 O2 1.527(5) . ?
P1 O3 1.521(5) . ?
P1 O4 1.520(5) . ?

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
O1 Bi1 O7 161.5(2) . 5_666 ?
O1 Bi1 O9 85.98(19) . 5_666 ?
O1 Bi1 O2 74.32(18) . 6_656 ?
O1 Bi1 O3 86.1(2) . 5_666 ?
O1 Bi1 O5 81.6(2) . 2_564 ?
O9 Bi1 O7 75.5(2) 5_666 5_666 ?
O9 Bi1 O2 156.71(18) 5_666 6_656 ?
O9 Bi1 O3 99.53(19) 5_666 5_666 ?
O9 Bi1 O5 90.2(2) 5_666 2_564 ?
O2 Bi1 O7 123.9(2) 6_656 5_666 ?
O3 Bi1 O7 95.68(19) 5_666 5_666 ?
O3 Bi1 O2 91.52(16) 5_666 6_656 ?
O5 Bi1 O7 99.4(2) 2_564 5_666 ?
O5 Bi1 O2 74.9(2) 2_564 6_656 ?
O5 Bi1 O3 163.7(2) 2_564 5_666 ?
P1 Ba1 P1 97.064(16) 6_656 5_666 ?
O1 Ba1 P1 92.67(12) 6_656 5_666 ?
O1 Ba1 P1 26.04(11) 6_656 6_656 ?
O1 Ba1 O9 116.38(16) 6_656 . ?
O1 Ba1 O2 59.25(14) 6_656 1_655 ?
O1 Ba1 O8 88.03(15) 6_656 6_656 ?
O1 Ba1 O3 71.45(15) 6_656 5_666 ?
O1 Ba1 O4 86.46(16) 6_656 1_655 ?
O1 Ba1 O4 51.68(15) 6_656 6_656 ?
O6 Ba1 P1 124.81(15) 1_655 5_666 ?
O6 Ba1 P1 137.24(14) 1_655 6_656 ?
O6 Ba1 O1 139.39(19) 1_655 6_656 ?
O6 Ba1 O9 97.42(17) 1_655 . ?
O6 Ba1 O2 105.64(16) 1_655 1_655 ?
O6 Ba1 O8 61.81(17) 1_655 6_656 ?
O6 Ba1 O3 148.81(17) 1_655 5_666 ?
O6 Ba1 O4 119.73(16) 1_655 6_656 ?
O6 Ba1 O4 60.33(17) 1_655 1_655 ?
O10 Ba1 P1 107.86(14) . 5_666 ?
O10 Ba1 P1 90.01(13) . 6_656 ?
O10 Ba1 O1 115.66(16) . 6_656 ?
O10 Ba1 O6 70.73(17) . 1_655 ?
O10 Ba1 O9 47.51(16) . . ?
O10 Ba1 O2 167.99(17) . 1_655 ?
O10 Ba1 O8 55.57(18) . 6_656 ?
O10 Ba1 O3 103.10(16) . 5_666 ?
O10 Ba1 O4 64.04(16) . 6_656 ?
O10 Ba1 O4 121.42(16) . 1_655 ?
O9 Ba1 P1 96.30(10) . 6_656 ?
O9 Ba1 P1 60.36(9) . 5_666 ?
O2 Ba1 P1 121.16(11) 5_666 6_656 ?
O2 Ba1 P1 25.46(11) 5_666 5_666 ?
O2 Ba1 P1 85.29(10) 1_655 6_656 ?
O2 Ba1 P1 83.72(10) 1_655 5_666 ?
O2 Ba1 O1 110.71(15) 5_666 6_656 ?
O2 Ba1 O6 101.57(17) 5_666 1_655 ?
O2 Ba1 O10 112.70(18) 5_666 . ?
O2 Ba1 O9 144.01(13) 1_655 . ?
O2 Ba1 O9 69.33(14) 5_666 . ?
O2 Ba1 O2 79.11(16) 5_666 1_655 ?
O2 Ba1 O8 112.47(15) 1_655 6_656 ?
O2 Ba1 O8 161.26(14) 5_666 6_656 ?
O2 Ba1 O3 51.34(14) 5_666 5_666 ?
O2 Ba1 O4 131.20(16) 5_666 6_656 ?
O2 Ba1 O4 107.06(15) 5_666 1_655 ?
O8 Ba1 P1 161.18(14) 6_656 5_666 ?
O8 Ba1 P1 75.71(11) 6_656 6_656 ?
O8 Ba1 O9 102.65(15) 6_656 . ?
O3 Ba1 P1 26.04(9) 5_666 5_666 ?
O3 Ba1 P1 71.35(10) 5_666 6_656 ?
O3 Ba1 O9 61.14(14) 5_666 . ?
O3 Ba1 O2 85.87(15) 5_666 1_655 ?
O3 Ba1 O8 140.64(16) 5_666 6_656 ?
O3 Ba1 O4 135.43(14) 5_666 1_655 ?
O4 Ba1 P1 105.99(12) 6_656 5_666 ?
O4 Ba1 P1 104.41(11) 1_655 6_656 ?
O4 Ba1 P1 125.44(10) 1_655 5_666 ?
O4 Ba1 P1 26.04(10) 6_656 6_656 ?
O4 Ba1 O9 80.01(14) 6_656 . ?
O4 Ba1 O9 156.93(14) 1_655 . ?
O4 Ba1 O2 49.79(14) 1_655 1_655 ?
O4 Ba1 O2 110.38(14) 6_656 1_655 ?
O4 Ba1 O8 73.37(17) 1_655 6_656 ?
O4 Ba1 O8 60.34(16) 6_656 6_656 ?
O4 Ba1 O3 80.89(15) 6_656 5_666 ?
O4 Ba1 O4 115.18(9) 6_656 1_655 ?
Ba1 Zn1 Ba1 139.70(4) 6_556 7_465 ?
Ba1 Zn1 Ba1 139.70(4) 4_455 1_455 ?
Ba1 Zn1 Ba1 77.54(3) 4_455 6_556 ?
Ba1 Zn1 Ba1 71.26(3) 7_465 1_455 ?
Ba1 Zn1 Ba1 91.897(19) 4_455 7_465 ?
Ba1 Zn1 Ba1 91.897(19) 6_556 1_455 ?
P2 Zn1 Ba1 65.50(5) . 7_465 ?
P2 Zn1 Ba1 65.50(5) . 1_455 ?
P2 Zn1 Ba1 140.502(19) . 4_455 ?
P2 Zn1 Ba1 140.502(19) . 6_556 ?
O6 Zn1 Ba1 43.67(11) . 1_455 ?
O6 Zn1 Ba1 43.67(11) . 7_465 ?
O6 Zn1 Ba1 135.43(9) . 4_455 ?
O6 Zn1 Ba1 135.43(9) . 6_556 ?
O6 Zn1 P2 32.2(2) . . ?
O6 Zn1 O10 121.9(3) . 6_556 ?
O6 Zn1 O4 86.73(14) . 7_565 ?
O6 Zn1 O4 86.73(14) . . ?
O10 Zn1 Ba1 93.87(16) 6_556 7_465 ?
O10 Zn1 Ba1 49.80(11) 6_556 6_556 ?
O10 Zn1 Ba1 49.80(11) 6_556 4_455 ?
O10 Zn1 Ba1 93.87(16) 6_556 1_455 ?
O10 Zn1 P2 154.1(2) 6_556 . ?
O10 Zn1 O4 88.69(14) 6_556 . ?
O10 Zn1 O4 88.69(14) 6_556 7_565 ?
O8 Zn1 Ba1 144.24(2) . 7_465 ?
O8 Zn1 Ba1 144.24(2) . 1_455 ?
O8 Zn1 Ba1 62.98(14) . 6_556 ?
O8 Zn1 Ba1 62.98(14) . 4_455 ?
O8 Zn1 P2 117.4(2) . . ?
O8 Zn1 O6 149.6(3) . . ?
O8 Zn1 O10 88.5(3) . 6_556 ?
O8 Zn1 O4 94.64(15) . 7_565 ?
O8 Zn1 O4 94.64(15) . . ?
O4 Zn1 Ba1 52.91(14) 7_565 4_455 ?
O4 Zn1 Ba1 130.16(14) . 4_455 ?
O4 Zn1 Ba1 49.84(15) 7_565 7_465 ?
O4 Zn1 Ba1 121.06(15) . 7_465 ?
O4 Zn1 Ba1 52.91(14) . 6_556 ?
O4 Zn1 Ba1 121.06(15) 7_565 1_455 ?
O4 Zn1 Ba1 49.84(15) . 1_455 ?
O4 Zn1 Ba1 130.15(14) 7_565 6_556 ?
O4 Zn1 P2 89.14(14) . . ?
O4 Zn1 P2 89.14(14) 7_565 . ?
O4 Zn1 O4 170.3(3) . 7_565 ?
Ba1 P3 Ba1 74.75(5) 7_565 . ?
O10 P3 Ba1 42.37(11) . . ?
O10 P3 Ba1 42.37(11) . 7_565 ?
O9 P3 Ba1 125.1(2) 7_565 . ?
O9 P3 Ba1 64.3(2) . . ?
O9 P3 Ba1 64.3(2) 7_565 7_565 ?
O9 P3 Ba1 125.1(2) . 7_565 ?
O9 P3 O10 106.5(3) . . ?
O9 P3 O10 106.5(3) 7_565 . ?
O9 P3 O9 112.6(4) 7_565 . ?
O8 P3 Ba1 119.1(2) . 7_565 ?
O8 P3 Ba1 119.1(2) . . ?
O8 P3 O10 106.1(4) . . ?
O8 P3 O9 112.3(3) . 7_565 ?
O8 P3 O9 112.3(3) . . ?
Ba1 P2 Ba1 74.21(5) 7_465 1_455 ?
Zn1 P2 Ba1 70.46(5) . 1_455 ?
Zn1 P2 Ba1 70.46(5) . 7_465 ?
O7 P2 Ba1 120.0(2) . 7_465 ?
O7 P2 Ba1 120.0(2) . 1_455 ?
O7 P2 Zn1 63.6(3) . . ?
O7 P2 O6 106.4(4) . . ?
O6 P2 Ba1 42.49(13) . 1_455 ?
O6 P2 Ba1 42.49(13) . 7_465 ?
O6 P2 Zn1 42.8(3) . . ?
O5 P2 Ba1 65.6(3) 7_565 7_465 ?
O5 P2 Ba1 65.6(3) . 1_455 ?
O5 P2 Ba1 127.0(3) . 7_465 ?
O5 P2 Ba1 127.0(3) 7_565 1_455 ?
O5 P2 Zn1 121.9(3) . . ?
O5 P2 Zn1 121.9(3) 7_565 . ?
O5 P2 O7 109.7(3) 7_565 . ?
O5 P2 O7 109.7(3) . . ?
O5 P2 O6 108.1(3) . . ?
O5 P2 O6 108.1(3) 7_565 . ?
O5 P2 O5 114.6(6) 7_565 . ?
Ba1 P1 Ba1 79.03(4) 5_666 1_455 ?
Ba1 P1 Ba1 162.70(6) 6_556 5_666 ?
Ba1 P1 Ba1 100.68(5) 6_556 1_455 ?
O1 P1 Ba1 52.4(2) . 6_556 ?
O1 P1 Ba1 120.2(2) . 5_666 ?
O1 P1 Ba1 146.4(2) . 1_455 ?
O2 P1 Ba1 115.00(19) . 6_556 ?
O2 P1 Ba1 58.7(2) . 1_455 ?
O2 P1 Ba1 49.94(18) . 5_666 ?
O2 P1 O1 110.4(3) . . ?
O3 P1 Ba1 56.9(2) . 5_666 ?
O3 P1 Ba1 138.5(2) . 6_556 ?
O3 P1 Ba1 102.7(2) . 1_455 ?
O3 P1 O1 110.9(3) . . ?
O3 P1 O2 106.4(3) . . ?
O4 P1 Ba1 57.2(2) . 1_455 ?
O4 P1 Ba1 54.8(2) . 6_556 ?
O4 P1 Ba1 133.2(2) . 5_666 ?
O4 P1 O1 106.1(3) . . ?
O4 P1 O2 109.1(3) . . ?
O4 P1 O3 113.9(3) . . ?
Bi1 O7 Bi1 112.2(3) 5_666 3_646 ?
P2 O7 Bi1 116.3(2) . 5_666 ?
P2 O7 Bi1 116.3(2) . 3_646 ?
Bi1 O1 Ba1 121.8(2) . 6_556 ?
P1 O1 Bi1 136.5(3) . . ?
P1 O1 Ba1 101.6(3) . 6_556 ?
Ba1 O6 Ba1 108.0(2) 7_465 1_455 ?
Zn1 O6 Ba1 106.48(19) . 7_465 ?
Zn1 O6 Ba1 106.48(19) . 1_455 ?
P2 O6 Ba1 115.1(2) . 7_465 ?
P2 O6 Ba1 115.1(2) . 1_455 ?
P2 O6 Zn1 105.0(4) . . ?
Ba1 O10 Ba1 109.4(2) 7_565 . ?
Zn1 O10 Ba1 95.35(18) 6_656 . ?
Zn1 O10 Ba1 95.35(18) 6_656 7_565 ?
P3 O10 Ba1 115.01(18) . 7_565 ?
P3 O10 Ba1 115.01(18) . . ?
P3 O10 Zn1 123.7(4) . 6_656 ?
Bi1 O9 Ba1 134.3(2) 5_666 . ?
P3 O9 Bi1 134.9(3) . 5_666 ?
P3 O9 Ba1 90.8(2) . . ?
Bi1 O2 Ba1 104.63(17) 6_556 1_455 ?
Bi1 O2 Ba1 118.54(19) 6_556 5_666 ?
Ba1 O2 Ba1 100.89(16) 5_666 1_455 ?
P1 O2 Bi1 127.0(3) . 6_556 ?
P1 O2 Ba1 104.6(2) . 5_666 ?
P1 O2 Ba1 95.2(2) . 1_455 ?
Ba1 O8 Ba1 88.70(17) 4_455 6_556 ?
Zn1 O8 Ba1 83.94(19) . 6_556 ?
Zn1 O8 Ba1 83.94(19) . 4_455 ?
P3 O8 Ba1 126.7(2) . 6_556 ?
P3 O8 Ba1 126.7(2) . 4_455 ?
P3 O8 Zn1 131.8(4) . . ?
Bi1 O3 Ba1 130.40(19) 5_666 5_666 ?
P1 O3 Bi1 130.9(3) . 5_666 ?
P1 O3 Ba1 97.0(2) . 5_666 ?
Ba1 O4 Ba1 133.6(2) 6_556 1_455 ?
Zn1 O4 Ba1 95.57(18) . 1_455 ?
Zn1 O4 Ba1 89.28(17) . 6_556 ?
P1 O4 Ba1 99.1(2) . 6_556 ?
P1 O4 Ba1 96.9(2) . 1_455 ?
P1 O4 Zn1 153.0(3) . . ?
P2 O5 Bi1 145.6(5) . 2_565 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.215
_oxdiff_exptl_absorpt_empirical_full_min 0.356
