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

data_a5
_database_code_depnum_ccdc_archive 'CCDC 2150372'
loop_
_audit_author_name
_audit_author_address
'Yang Yun'
;Xinjiang Technical Institute of Physics  and Chemistry
China
;
_audit_update_record             
;
2022-02-07 deposited with the CCDC.	2022-03-22 downloaded from the CCDC.
;
_audit_creation_date             2021-06-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B18 Ba10 F13 Lu O32'
_chemical_formula_sum            'B18 Ba10 F13 Lu O32'
_chemical_formula_weight         2501.95
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 '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'

_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           42
_space_group_name_H-M_alt        'F m m 2'
_space_group_name_Hall           'F 2 -2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y, z'
'-x, y, z'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'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                   16.5749(6)
_cell_length_b                   16.7644(9)
_cell_length_c                   13.6222(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3785.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5677
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.474
_cell_measurement_theta_min      2.284
_shelx_estimated_absorpt_T_max   0.354
_shelx_estimated_absorpt_T_min   0.245
_exptl_absorpt_coefficient_mu    12.969
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0927 before and 0.0669 after correction.
The Ratio of minimum to maximum transmission is 0.8436.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    4.390
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4376
_exptl_crystal_size_max          0.151
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.101
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0743
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14299
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.487
_diffrn_reflns_theta_min         2.285
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean 5.6
_diffrn_detector_type            'Bruker SMART CCD 6000 area detector'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'three-circle diffractometer'
_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           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.913
_reflns_Friedel_fraction_full    0.987
_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                2249
_reflns_number_total             2301
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.631
_refine_diff_density_min         -0.907
_refine_diff_density_rms         0.141
_refine_ls_abs_structure_details 
;
 Flack x determined using 1044 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.023(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         2301
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0195
_refine_ls_R_factor_gt           0.0189
_refine_ls_restrained_S_all      0.970
_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)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0387
_refine_ls_wR_factor_ref         0.0395
_refine_special_details          ?
_olex2_refinement_description    
;
;
_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
Lu1 Lu 0.500000 0.500000 0.73874(5) 0.01036(14) Uani 1 4 d S T P . .
Ba3 Ba 0.28697(4) 0.500000 0.63914(5) 0.01169(13) Uani 1 2 d S T P . .
Ba1 Ba 0.62347(3) 0.61772(2) 0.93404(3) 0.01249(10) Uani 1 1 d . . . . .
Ba5 Ba 0.500000 0.500000 0.18669(7) 0.0184(2) Uani 1 4 d S T P . .
Ba4 Ba 0.500000 0.22295(3) 0.14202(5) 0.01456(14) Uani 1 2 d S T P . .
Ba2 Ba 0.500000 0.500000 0.47878(6) 0.01069(18) Uani 1 4 d S T P . .
F5 F 0.1358(5) 0.500000 0.5722(5) 0.0176(16) Uani 1 2 d S T P . .
O8 O 0.4063(3) 0.4140(3) 0.3587(4) 0.0083(11) Uani 1 1 d . . . . .
F4 F 0.4241(3) 0.4221(2) 0.6299(3) 0.0154(9) Uani 1 1 d . . . . .
O3 O 0.2965(3) 0.3654(3) 0.4637(4) 0.0114(11) Uani 1 1 d . . . . .
O1 O 0.2553(4) 0.3230(3) 0.6695(4) 0.0106(11) Uani 1 1 d . . . . .
F1 F 0.500000 0.500000 0.9213(7) 0.019(2) Uani 1 4 d S T P . .
F2 F 0.500000 0.6249(4) 0.8038(5) 0.0155(15) Uani 1 2 d S T P . .
O4 O 0.3030(5) 0.500000 0.4295(6) 0.0093(14) Uani 1 2 d S T P . .
F3 F 0.6211(4) 0.500000 0.8025(5) 0.0135(14) Uani 1 2 d S T P . .
B1 B 0.250000 0.250000 0.6131(9) 0.007(2) Uani 1 2 d S T P . .
F6 F 0.500000 0.3683(4) 0.0627(5) 0.0164(16) Uani 1 2 d S T P . .
O10 O 0.2711(4) 0.4068(3) 0.2987(4) 0.0129(12) Uani 1 1 d . . . . .
O6 O 0.4114(3) 0.2836(3) 0.4307(4) 0.0131(11) Uani 1 1 d . . . . .
O9 O 0.500000 0.3185(4) 0.2946(5) 0.0094(16) Uani 1 2 d S T P . .
B2 B 0.3426(6) 0.3008(5) 0.4816(6) 0.0113(17) Uani 1 1 d . . . . .
B3 B 0.3217(6) 0.4244(5) 0.3861(6) 0.0085(16) Uani 1 1 d . . . . .
O2 O 0.3236(3) 0.2449(3) 0.5515(4) 0.0110(11) Uani 1 1 d . . . . .
O7 O 0.3632(4) 0.2993(3) 0.2650(4) 0.0142(13) Uani 1 1 d . . . . .
B4 B 0.4232(6) 0.3299(5) 0.3369(7) 0.0100(16) Uani 1 1 d . . . . .
B5 B 0.2944(6) 0.3412(5) 0.2449(7) 0.0110(16) 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
Lu1 Ba3 3.7827(7) . ?
Lu1 Ba3 3.7827(7) 2_665 ?
Lu1 Ba2 3.5412(11) . ?
Lu1 F4 2.342(4) . ?
Lu1 F4 2.342(4) 4_655 ?
Lu1 F4 2.342(4) 3_565 ?
Lu1 F4 2.342(4) 2_665 ?
Lu1 F1 2.487(10) . ?
Lu1 F2 2.273(6) . ?
Lu1 F2 2.273(6) 2_665 ?
Lu1 F3 2.187(7) . ?
Lu1 F3 2.187(7) 2_665 ?
Ba3 F5 2.666(8) . ?
Ba3 F4 2.625(5) . ?
Ba3 F4 2.625(5) 3_565 ?
Ba3 O3 3.291(5) . ?
Ba3 O3 3.291(5) 3_565 ?
Ba3 O1 3.042(5) . ?
Ba3 O1 3.042(5) 3_565 ?
Ba3 O4 2.868(7) . ?
Ba3 F3 2.697(7) 2_665 ?
Ba3 O10 2.845(5) 10_565 ?
Ba3 O10 2.845(5) 12 ?
Ba3 B5 3.314(8) 12 ?
Ba1 F5 2.735(5) 9 ?
Ba1 O3 2.909(6) 11_565 ?
Ba1 F1 2.8483(8) . ?
Ba1 F2 2.711(4) . ?
Ba1 F3 2.666(4) . ?
Ba1 F6 2.705(4) 2_666 ?
Ba1 O10 3.091(6) 11_565 ?
Ba1 O6 2.841(5) 8_655 ?
Ba1 B2 3.187(9) 8_655 ?
Ba1 B3 3.424(10) 11_565 ?
Ba1 O2 2.807(5) 8_655 ?
Ba5 Ba2 3.9789(13) . ?
Ba5 F5 2.739(8) 9_554 ?
Ba5 F5 2.739(8) 10_564 ?
Ba5 O8 3.159(5) . ?
Ba5 O8 3.159(5) 2_665 ?
Ba5 O8 3.159(5) 3_565 ?
Ba5 O8 3.159(5) 4_655 ?
Ba5 F6 2.780(6) . ?
Ba5 F6 2.780(6) 2_665 ?
Ba4 F4 2.743(4) 6_654 ?
Ba4 F4 2.743(4) 7_554 ?
Ba4 F2 2.749(7) 5_544 ?
Ba4 F6 2.665(6) . ?
Ba4 O6 3.233(6) 6_654 ?
Ba4 O6 3.233(6) 7_554 ?
Ba4 O9 2.624(7) . ?
Ba4 B2 3.426(9) 7_554 ?
Ba4 O2 3.218(6) 7_554 ?
Ba4 O2 3.218(6) 6_654 ?
Ba4 O7 3.095(6) 4_655 ?
Ba4 O7 3.095(6) . ?
Ba2 O8 2.677(5) 3_565 ?
Ba2 O8 2.677(5) . ?
Ba2 O8 2.677(5) 4_655 ?
Ba2 O8 2.677(5) 2_665 ?
Ba2 F4 2.742(5) . ?
Ba2 F4 2.742(5) 4_655 ?
Ba2 F4 2.742(5) 2_665 ?
Ba2 F4 2.742(5) 3_565 ?
Ba2 B3 3.454(9) 3_565 ?
Ba2 B3 3.454(9) . ?
Ba2 B3 3.454(9) 2_665 ?
Ba2 B3 3.454(9) 4_655 ?
O8 B3 1.463(11) . ?
O8 B4 1.467(9) . ?
O3 B2 1.348(10) . ?
O3 B3 1.507(9) . ?
O1 B1 1.446(8) . ?
O1 B5 1.352(10) 12 ?
O4 B3 1.432(9) 3_565 ?
O4 B3 1.432(8) . ?
B1 O2 1.483(8) 14 ?
B1 O2 1.483(8) . ?
O10 B3 1.486(10) . ?
O10 B5 1.377(10) . ?
O6 B2 1.365(11) . ?
O6 B4 1.508(10) . ?
O9 B4 1.411(10) 4_655 ?
O9 B4 1.411(10) . ?
B2 O2 1.373(10) . ?
O7 B4 1.487(10) . ?
O7 B5 1.367(10) . ?

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
Ba3 Lu1 Ba3 137.96(3) 2_665 . ?
Ba2 Lu1 Ba3 68.982(13) . . ?
Ba2 Lu1 Ba3 68.981(13) . 2_665 ?
F4 Lu1 Ba3 105.91(12) . 2_665 ?
F4 Lu1 Ba3 105.91(12) 2_665 . ?
F4 Lu1 Ba3 43.25(11) 2_665 2_665 ?
F4 Lu1 Ba3 43.25(11) 4_655 2_665 ?
F4 Lu1 Ba3 105.91(12) 3_565 2_665 ?
F4 Lu1 Ba3 105.91(12) 4_655 . ?
F4 Lu1 Ba3 43.25(11) 3_565 . ?
F4 Lu1 Ba3 43.25(11) . . ?
F4 Lu1 Ba2 50.71(11) 4_655 . ?
F4 Lu1 Ba2 50.71(11) 2_665 . ?
F4 Lu1 Ba2 50.71(11) 3_565 . ?
F4 Lu1 Ba2 50.71(11) . . ?
F4 Lu1 F4 67.7(2) 4_655 2_665 ?
F4 Lu1 F4 101.4(2) 4_655 3_565 ?
F4 Lu1 F4 67.7(2) 3_565 . ?
F4 Lu1 F4 65.0(2) 3_565 2_665 ?
F4 Lu1 F4 65.0(2) 4_655 . ?
F4 Lu1 F4 101.4(2) 2_665 . ?
F4 Lu1 F1 129.29(11) 3_565 . ?
F4 Lu1 F1 129.29(11) 4_655 . ?
F4 Lu1 F1 129.29(11) 2_665 . ?
F4 Lu1 F1 129.29(11) . . ?
F1 Lu1 Ba3 111.018(14) . . ?
F1 Lu1 Ba3 111.019(13) . 2_665 ?
F1 Lu1 Ba2 180.0 . . ?
F2 Lu1 Ba3 98.03(6) 2_665 . ?
F2 Lu1 Ba3 98.03(6) . . ?
F2 Lu1 Ba3 98.03(6) . 2_665 ?
F2 Lu1 Ba3 98.03(6) 2_665 2_665 ?
F2 Lu1 Ba2 112.93(17) . . ?
F2 Lu1 Ba2 112.93(17) 2_665 . ?
F2 Lu1 F4 74.54(17) 2_665 . ?
F2 Lu1 F4 139.47(14) . 4_655 ?
F2 Lu1 F4 74.54(17) . 3_565 ?
F2 Lu1 F4 74.54(17) . 2_665 ?
F2 Lu1 F4 74.54(17) 2_665 4_655 ?
F2 Lu1 F4 139.47(14) 2_665 2_665 ?
F2 Lu1 F4 139.47(14) . . ?
F2 Lu1 F4 139.47(14) 2_665 3_565 ?
F2 Lu1 F1 67.07(17) . . ?
F2 Lu1 F1 67.07(17) 2_665 . ?
F2 Lu1 F2 134.1(3) . 2_665 ?
F3 Lu1 Ba3 44.41(17) . 2_665 ?
F3 Lu1 Ba3 177.63(17) . . ?
F3 Lu1 Ba3 44.41(17) 2_665 . ?
F3 Lu1 Ba3 177.63(17) 2_665 2_665 ?
F3 Lu1 Ba2 113.39(17) . . ?
F3 Lu1 Ba2 113.39(17) 2_665 . ?
F3 Lu1 F4 138.10(14) . . ?
F3 Lu1 F4 138.09(15) . 3_565 ?
F3 Lu1 F4 76.03(18) . 4_655 ?
F3 Lu1 F4 76.03(18) . 2_665 ?
F3 Lu1 F4 76.03(18) 2_665 . ?
F3 Lu1 F4 138.09(14) 2_665 2_665 ?
F3 Lu1 F4 76.03(18) 2_665 3_565 ?
F3 Lu1 F4 138.09(15) 2_665 4_655 ?
F3 Lu1 F1 66.61(17) 2_665 . ?
F3 Lu1 F1 66.61(17) . . ?
F3 Lu1 F2 81.10(9) 2_665 . ?
F3 Lu1 F2 81.10(9) 2_665 2_665 ?
F3 Lu1 F2 81.10(9) . . ?
F3 Lu1 F2 81.10(9) . 2_665 ?
F3 Lu1 F3 133.2(3) 2_665 . ?
F5 Ba3 O3 78.25(15) . 3_565 ?
F5 Ba3 O3 78.25(15) . . ?
F5 Ba3 O1 83.36(12) . . ?
F5 Ba3 O1 83.36(12) . 3_565 ?
F5 Ba3 O4 75.3(2) . . ?
F5 Ba3 F3 144.4(2) . 2_665 ?
F5 Ba3 O10 86.76(18) . 12 ?
F5 Ba3 O10 86.76(18) . 10_565 ?
F5 Ba3 B5 76.48(18) . 12 ?
F4 Ba3 F5 142.89(13) . . ?
F4 Ba3 F5 142.89(13) 3_565 . ?
F4 Ba3 F4 59.65(19) . 3_565 ?
F4 Ba3 O3 65.33(14) . . ?
F4 Ba3 O3 105.34(14) 3_565 . ?
F4 Ba3 O3 105.34(14) . 3_565 ?
F4 Ba3 O3 65.33(14) 3_565 3_565 ?
F4 Ba3 O1 70.78(15) 3_565 3_565 ?
F4 Ba3 O1 129.88(15) . 3_565 ?
F4 Ba3 O1 129.88(15) 3_565 . ?
F4 Ba3 O1 70.78(15) . . ?
F4 Ba3 O4 82.64(17) . . ?
F4 Ba3 O4 82.64(17) 3_565 . ?
F4 Ba3 F3 63.27(16) . 2_665 ?
F4 Ba3 F3 63.27(16) 3_565 2_665 ?
F4 Ba3 O10 127.08(15) 3_565 12 ?
F4 Ba3 O10 127.08(15) . 10_565 ?
F4 Ba3 O10 93.25(16) 3_565 10_565 ?
F4 Ba3 O10 93.25(16) . 12 ?
F4 Ba3 B5 88.51(18) . 12 ?
F4 Ba3 B5 140.63(18) 3_565 12 ?
O3 Ba3 O3 86.57(17) . 3_565 ?
O3 Ba3 B5 77.55(17) . 12 ?
O3 Ba3 B5 152.38(19) 3_565 12 ?
O1 Ba3 O3 55.80(13) . . ?
O1 Ba3 O3 140.88(13) . 3_565 ?
O1 Ba3 O3 140.88(13) 3_565 . ?
O1 Ba3 O3 55.80(13) 3_565 3_565 ?
O1 Ba3 O1 154.6(2) 3_565 . ?
O1 Ba3 B5 24.08(18) . 12 ?
O1 Ba3 B5 130.89(19) 3_565 12 ?
O4 Ba3 O3 43.31(9) . . ?
O4 Ba3 O3 43.31(9) . 3_565 ?
O4 Ba3 O1 98.69(10) . 3_565 ?
O4 Ba3 O1 98.69(10) . . ?
O4 Ba3 B5 118.07(16) . 12 ?
F3 Ba3 O3 124.90(12) 2_665 3_565 ?
F3 Ba3 O3 124.90(12) 2_665 . ?
F3 Ba3 O1 89.17(11) 2_665 3_565 ?
F3 Ba3 O1 89.17(11) 2_665 . ?
F3 Ba3 O4 140.3(2) 2_665 . ?
F3 Ba3 O10 63.95(16) 2_665 12 ?
F3 Ba3 O10 63.95(16) 2_665 10_565 ?
F3 Ba3 B5 82.61(18) 2_665 12 ?
O10 Ba3 O3 101.23(13) 12 . ?
O10 Ba3 O3 101.23(13) 10_565 3_565 ?
O10 Ba3 O3 161.40(15) 12 3_565 ?
O10 Ba3 O3 161.40(15) 10_565 . ?
O10 Ba3 O1 111.95(14) 12 3_565 ?
O10 Ba3 O1 45.74(14) 10_565 3_565 ?
O10 Ba3 O1 111.95(14) 10_565 . ?
O10 Ba3 O1 45.74(14) 12 . ?
O10 Ba3 O4 142.39(12) 10_565 . ?
O10 Ba3 O4 142.39(12) 12 . ?
O10 Ba3 O10 66.6(2) 10_565 12 ?
O10 Ba3 B5 24.35(18) 12 12 ?
O10 Ba3 B5 88.36(19) 10_565 12 ?
F5 Ba1 Lu1 98.27(12) 9 . ?
F5 Ba1 O3 84.30(19) 9 11_565 ?
F5 Ba1 F1 66.2(2) 9 . ?
F5 Ba1 O10 104.77(18) 9 11_565 ?
F5 Ba1 O6 137.11(16) 9 8_655 ?
F5 Ba1 B2 122.8(2) 9 8_655 ?
F5 Ba1 B3 84.9(2) 9 11_565 ?
F5 Ba1 O2 97.61(15) 9 8_655 ?
O3 Ba1 Lu1 131.46(10) 11_565 . ?
O3 Ba1 O10 46.80(15) 11_565 11_565 ?
O3 Ba1 B2 72.80(19) 11_565 8_655 ?
O3 Ba1 B3 25.94(16) 11_565 11_565 ?
F1 Ba1 Lu1 39.6(2) . . ?
F1 Ba1 O3 141.62(10) . 11_565 ?
F1 Ba1 O10 116.13(16) . 11_565 ?
F1 Ba1 B2 143.75(18) . 8_655 ?
F1 Ba1 B3 122.33(14) . 11_565 ?
F2 Ba1 Lu1 34.77(13) . . ?
F2 Ba1 F5 122.62(19) . 9 ?
F2 Ba1 O3 146.13(15) . 11_565 ?
F2 Ba1 F1 56.54(19) . . ?
F2 Ba1 O10 102.31(15) . 11_565 ?
F2 Ba1 O6 78.04(17) . 8_655 ?
F2 Ba1 B2 102.9(2) . 8_655 ?
F2 Ba1 B3 127.49(17) . 11_565 ?
F2 Ba1 O2 125.13(17) . 8_655 ?
F3 Ba1 Lu1 32.62(15) . . ?
F3 Ba1 F5 85.96(13) . 9 ?
F3 Ba1 O3 100.36(18) . 11_565 ?
F3 Ba1 F1 55.6(2) . . ?
F3 Ba1 F2 65.27(18) . . ?
F3 Ba1 F6 119.25(19) . 2_666 ?
F3 Ba1 O10 60.82(17) . 11_565 ?
F3 Ba1 O6 135.31(15) . 8_655 ?
F3 Ba1 B2 148.4(2) . 8_655 ?
F3 Ba1 B3 74.5(2) . 11_565 ?
F3 Ba1 O2 161.86(19) . 8_655 ?
F6 Ba1 Lu1 95.11(11) 2_666 . ?
F6 Ba1 F5 70.9(2) 2_666 9 ?
F6 Ba1 O3 130.34(14) 2_666 11_565 ?
F6 Ba1 F1 63.64(19) 2_666 . ?
F6 Ba1 F2 81.33(13) 2_666 . ?
F6 Ba1 O10 175.55(16) 2_666 11_565 ?
F6 Ba1 O6 76.78(18) 2_666 8_655 ?
F6 Ba1 B2 85.3(2) 2_666 8_655 ?
F6 Ba1 B3 150.19(17) 2_666 11_565 ?
F6 Ba1 O2 78.52(17) 2_666 8_655 ?
O10 Ba1 Lu1 86.63(10) 11_565 . ?
O10 Ba1 B2 96.3(2) 11_565 8_655 ?
O10 Ba1 B3 25.72(16) 11_565 11_565 ?
O6 Ba1 Lu1 112.24(11) 8_655 . ?
O6 Ba1 O3 96.17(14) 8_655 11_565 ?
O6 Ba1 F1 122.08(11) 8_655 . ?
O6 Ba1 O10 106.37(15) 8_655 11_565 ?
O6 Ba1 B2 25.3(2) 8_655 8_655 ?
O6 Ba1 B3 113.22(18) 8_655 11_565 ?
B2 Ba1 Lu1 136.03(16) 8_655 . ?
B2 Ba1 B3 93.9(2) 8_655 11_565 ?
B3 Ba1 Lu1 105.63(13) 11_565 . ?
O2 Ba1 Lu1 159.87(11) 8_655 . ?
O2 Ba1 O3 62.55(15) 8_655 11_565 ?
O2 Ba1 F1 141.8(2) 8_655 . ?
O2 Ba1 O10 101.16(15) 8_655 11_565 ?
O2 Ba1 O6 47.84(15) 8_655 8_655 ?
O2 Ba1 B2 25.48(19) 8_655 8_655 ?
O2 Ba1 B3 88.03(18) 8_655 11_565 ?
Ba1 Ba5 Ba1 79.11(2) 4_654 3_564 ?
Ba1 Ba5 Ba1 52.473(15) 2_664 4_654 ?
Ba1 Ba5 Ba1 54.570(16) 2_664 3_564 ?
Ba2 Ba5 Ba1 140.443(10) . 2_664 ?
Ba2 Ba5 Ba1 140.443(10) . 4_654 ?
Ba2 Ba5 Ba1 140.443(10) . 3_564 ?
F5 Ba5 Ba1 86.43(13) 9_554 2_664 ?
F5 Ba5 Ba1 35.33(9) 9_554 3_564 ?
F5 Ba5 Ba1 86.43(13) 9_554 4_654 ?
F5 Ba5 Ba1 86.43(13) 10_564 3_564 ?
F5 Ba5 Ba1 35.33(9) 10_564 2_664 ?
F5 Ba5 Ba1 35.33(9) 10_564 4_654 ?
F5 Ba5 Ba2 124.71(15) 10_564 . ?
F5 Ba5 Ba2 124.71(15) 9_554 . ?
F5 Ba5 F5 110.6(3) 10_564 9_554 ?
F5 Ba5 O8 145.72(13) 9_554 3_565 ?
F5 Ba5 O8 145.72(13) 10_564 2_665 ?
F5 Ba5 O8 91.05(16) 9_554 2_665 ?
F5 Ba5 O8 91.05(16) 10_564 . ?
F5 Ba5 O8 145.72(13) 10_564 4_655 ?
F5 Ba5 O8 145.72(13) 9_554 . ?
F5 Ba5 O8 91.05(16) 10_564 3_565 ?
F5 Ba5 O8 91.05(16) 9_554 4_655 ?
F5 Ba5 F6 69.76(10) 9_554 2_665 ?
F5 Ba5 F6 69.76(10) 10_564 2_665 ?
F5 Ba5 F6 69.76(10) 10_564 . ?
F5 Ba5 F6 69.76(10) 9_554 . ?
O8 Ba5 Ba1 126.53(9) . 3_564 ?
O8 Ba5 Ba1 177.33(10) 4_655 4_654 ?
O8 Ba5 Ba1 126.53(9) 2_665 4_654 ?
O8 Ba5 Ba1 98.32(10) 4_655 3_564 ?
O8 Ba5 Ba1 98.32(10) 3_565 4_654 ?
O8 Ba5 Ba1 123.25(10) 2_665 3_564 ?
O8 Ba5 Ba1 177.33(10) 3_565 3_564 ?
O8 Ba5 Ba1 126.53(9) 4_655 2_664 ?
O8 Ba5 Ba1 123.25(10) . 4_654 ?
O8 Ba5 Ba1 123.25(10) 3_565 2_664 ?
O8 Ba5 Ba1 98.32(10) . 2_664 ?
O8 Ba5 Ba1 177.33(10) 2_665 2_664 ?
O8 Ba5 Ba2 42.13(10) 3_565 . ?
O8 Ba5 Ba2 42.13(10) 4_655 . ?
O8 Ba5 Ba2 42.13(10) 2_665 . ?
O8 Ba5 Ba2 42.13(10) . . ?
O8 Ba5 O8 58.9(2) 2_665 3_565 ?
O8 Ba5 O8 58.9(2) 4_655 . ?
O8 Ba5 O8 84.26(19) 2_665 . ?
O8 Ba5 O8 54.33(18) 2_665 4_655 ?
O8 Ba5 O8 84.26(19) 4_655 3_565 ?
O8 Ba5 O8 54.33(18) 3_565 . ?
F6 Ba5 Ba1 34.96(8) . 2_664 ?
F6 Ba5 Ba1 34.96(8) . 3_564 ?
F6 Ba5 Ba1 83.26(12) 2_665 2_664 ?
F6 Ba5 Ba1 83.26(12) . 4_654 ?
F6 Ba5 Ba1 34.96(8) 2_665 4_654 ?
F6 Ba5 Ba1 83.26(12) 2_665 3_564 ?
F6 Ba5 Ba2 127.41(13) . . ?
F6 Ba5 Ba2 127.41(13) 2_665 . ?
F6 Ba5 O8 144.41(12) . 3_565 ?
F6 Ba5 O8 144.41(12) 2_665 4_655 ?
F6 Ba5 O8 95.05(14) . 4_655 ?
F6 Ba5 O8 95.05(14) 2_665 3_565 ?
F6 Ba5 O8 95.05(14) 2_665 2_665 ?
F6 Ba5 O8 144.41(12) 2_665 . ?
F6 Ba5 O8 144.41(12) . 2_665 ?
F6 Ba5 O8 95.05(14) . . ?
F6 Ba5 F6 105.2(3) . 2_665 ?
F4 Ba4 F4 54.57(19) 7_554 6_654 ?
F4 Ba4 F2 61.19(15) 6_654 5_544 ?
F4 Ba4 F2 61.19(15) 7_554 5_544 ?
F4 Ba4 O6 73.02(13) 7_554 7_554 ?
F4 Ba4 O6 73.02(13) 6_654 6_654 ?
F4 Ba4 O6 97.14(13) 6_654 7_554 ?
F4 Ba4 O6 97.14(13) 7_554 6_654 ?
F4 Ba4 B2 101.97(17) 6_654 7_554 ?
F4 Ba4 B2 60.62(17) 7_554 7_554 ?
F4 Ba4 O2 122.81(13) 7_554 6_654 ?
F4 Ba4 O2 122.81(13) 6_654 7_554 ?
F4 Ba4 O2 73.08(13) 7_554 7_554 ?
F4 Ba4 O2 73.08(13) 6_654 6_654 ?
F4 Ba4 O7 93.65(14) 7_554 . ?
F4 Ba4 O7 93.65(14) 6_654 4_655 ?
F4 Ba4 O7 137.31(14) 6_654 . ?
F4 Ba4 O7 137.31(14) 7_554 4_655 ?
F2 Ba4 O6 133.88(14) 5_544 7_554 ?
F2 Ba4 O6 133.88(14) 5_544 6_654 ?
F2 Ba4 B2 116.21(16) 5_544 7_554 ?
F2 Ba4 O2 114.03(9) 5_544 7_554 ?
F2 Ba4 O2 114.03(9) 5_544 6_654 ?
F2 Ba4 O7 79.26(13) 5_544 . ?
F2 Ba4 O7 79.26(13) 5_544 4_655 ?
F6 Ba4 F4 141.82(14) . 6_654 ?
F6 Ba4 F4 141.82(14) . 7_554 ?
F6 Ba4 F2 150.6(2) . 5_544 ?
F6 Ba4 O6 70.74(15) . 7_554 ?
F6 Ba4 O6 70.74(15) . 6_654 ?
F6 Ba4 B2 81.24(17) . 7_554 ?
F6 Ba4 O2 72.04(10) . 7_554 ?
F6 Ba4 O2 72.04(10) . 6_654 ?
F6 Ba4 O7 80.86(14) . 4_655 ?
F6 Ba4 O7 80.86(14) . . ?
O6 Ba4 O6 54.03(19) 7_554 6_654 ?
O6 Ba4 B2 23.42(18) 7_554 7_554 ?
O6 Ba4 B2 76.95(18) 6_654 7_554 ?
O9 Ba4 F4 126.11(16) . 6_654 ?
O9 Ba4 F4 126.11(16) . 7_554 ?
O9 Ba4 F2 74.4(2) . 5_544 ?
O9 Ba4 F6 76.3(2) . . ?
O9 Ba4 O6 136.52(15) . 6_654 ?
O9 Ba4 O6 136.52(15) . 7_554 ?
O9 Ba4 B2 125.17(16) . 7_554 ?
O9 Ba4 O2 101.60(11) . 6_654 ?
O9 Ba4 O2 101.60(11) . 7_554 ?
O9 Ba4 O7 47.08(10) . 4_655 ?
O9 Ba4 O7 47.08(10) . . ?
O2 Ba4 O6 94.44(14) 6_654 7_554 ?
O2 Ba4 O6 41.59(13) 6_654 6_654 ?
O2 Ba4 O6 94.44(14) 7_554 6_654 ?
O2 Ba4 O6 41.59(13) 7_554 7_554 ?
O2 Ba4 B2 23.58(17) 7_554 7_554 ?
O2 Ba4 B2 117.83(19) 6_654 7_554 ?
O2 Ba4 O2 130.58(18) 7_554 6_654 ?
O7 Ba4 O6 99.38(14) . 7_554 ?
O7 Ba4 O6 145.93(14) 4_655 7_554 ?
O7 Ba4 O6 145.92(14) . 6_654 ?
O7 Ba4 O6 99.38(14) 4_655 6_654 ?
O7 Ba4 B2 80.54(18) . 7_554 ?
O7 Ba4 B2 161.93(18) 4_655 7_554 ?
O7 Ba4 O2 58.18(14) . 7_554 ?
O7 Ba4 O2 143.44(14) 4_655 7_554 ?
O7 Ba4 O2 58.18(14) 4_655 6_654 ?
O7 Ba4 O2 143.44(14) . 6_654 ?
O7 Ba4 O7 94.2(2) 4_655 . ?
O8 Ba2 O8 70.9(2) . 4_655 ?
O8 Ba2 O8 70.9(2) 3_565 2_665 ?
O8 Ba2 O8 65.2(2) 4_655 2_665 ?
O8 Ba2 O8 104.6(2) 3_565 4_655 ?
O8 Ba2 O8 65.2(2) . 3_565 ?
O8 Ba2 O8 104.6(2) . 2_665 ?
O8 Ba2 F4 117.92(14) 3_565 2_665 ?
O8 Ba2 F4 168.81(14) 3_565 4_655 ?
O8 Ba2 F4 116.69(15) 3_565 . ?
O8 Ba2 F4 116.69(15) 4_655 2_665 ?
O8 Ba2 F4 116.69(15) 2_665 4_655 ?
O8 Ba2 F4 86.36(15) 2_665 2_665 ?
O8 Ba2 F4 168.81(14) . 2_665 ?
O8 Ba2 F4 116.69(15) . 3_565 ?
O8 Ba2 F4 86.36(15) 4_655 4_655 ?
O8 Ba2 F4 86.36(15) 3_565 3_565 ?
O8 Ba2 F4 86.36(15) . . ?
O8 Ba2 F4 168.81(14) 4_655 3_565 ?
O8 Ba2 F4 117.92(14) 4_655 . ?
O8 Ba2 F4 117.92(14) 2_665 3_565 ?
O8 Ba2 F4 117.92(14) . 4_655 ?
O8 Ba2 F4 168.81(14) 2_665 . ?
O8 Ba2 B3 23.51(18) 3_565 3_565 ?
O8 Ba2 B3 118.05(18) 3_565 4_655 ?
O8 Ba2 B3 58.53(18) 3_565 . ?
O8 Ba2 B3 118.05(18) 4_655 3_565 ?
O8 Ba2 B3 58.53(18) 2_665 4_655 ?
O8 Ba2 B3 94.31(19) 2_665 3_565 ?
O8 Ba2 B3 23.51(18) 2_665 2_665 ?
O8 Ba2 B3 94.31(19) 4_655 . ?
O8 Ba2 B3 23.51(18) 4_655 4_655 ?
O8 Ba2 B3 118.05(18) . 2_665 ?
O8 Ba2 B3 23.51(18) . . ?
O8 Ba2 B3 94.31(19) 3_565 2_665 ?
O8 Ba2 B3 118.05(18) 2_665 . ?
O8 Ba2 B3 58.53(18) 4_655 2_665 ?
O8 Ba2 B3 58.53(18) . 3_565 ?
O8 Ba2 B3 94.31(19) . 4_655 ?
F4 Ba2 F4 54.59(19) 2_665 3_565 ?
F4 Ba2 F4 82.74(19) 3_565 4_655 ?
F4 Ba2 F4 56.84(18) 3_565 . ?
F4 Ba2 F4 56.84(18) 2_665 4_655 ?
F4 Ba2 F4 82.74(19) 2_665 . ?
F4 Ba2 F4 54.59(19) 4_655 . ?
F4 Ba2 B3 119.48(16) 3_565 2_665 ?
F4 Ba2 B3 93.24(17) 3_565 . ?
F4 Ba2 B3 119.48(16) . 4_655 ?
F4 Ba2 B3 93.24(17) . 3_565 ?
F4 Ba2 B3 72.99(16) 4_655 4_655 ?
F4 Ba2 B3 93.24(17) 4_655 2_665 ?
F4 Ba2 B3 147.26(17) 4_655 3_565 ?
F4 Ba2 B3 72.99(17) 2_665 2_665 ?
F4 Ba2 B3 147.26(17) 3_565 4_655 ?
F4 Ba2 B3 72.99(17) . . ?
F4 Ba2 B3 147.26(17) 2_665 . ?
F4 Ba2 B3 147.26(17) . 2_665 ?
F4 Ba2 B3 119.48(16) 4_655 . ?
F4 Ba2 B3 93.24(17) 2_665 4_655 ?
F4 Ba2 B3 72.99(16) 3_565 3_565 ?
F4 Ba2 B3 119.48(16) 2_665 3_565 ?
B3 Ba2 B3 117.6(3) 3_565 2_665 ?
B3 Ba2 B3 137.1(3) 2_665 . ?
B3 Ba2 B3 43.0(3) 3_565 . ?
B3 Ba2 B3 137.1(3) 3_565 4_655 ?
B3 Ba2 B3 43.0(3) 2_665 4_655 ?
B3 Ba2 B3 117.6(3) 4_655 . ?
Ba3 F5 Ba1 107.8(2) . 11_464 ?
Ba3 F5 Ba1 107.8(2) . 9_454 ?
Ba3 F5 Ba5 125.3(3) . 9_455 ?
Ba1 F5 Ba1 92.4(2) 11_464 9_454 ?
Ba1 F5 Ba5 109.3(2) 11_464 9_455 ?
Ba1 F5 Ba5 109.3(2) 9_454 9_455 ?
Ba2 O8 Ba5 85.55(15) . . ?
B3 O8 Ba5 127.3(4) . . ?
B3 O8 Ba2 109.6(4) . . ?
B3 O8 B4 110.4(6) . . ?
B4 O8 Ba5 101.3(4) . . ?
B4 O8 Ba2 122.0(4) . . ?
Lu1 F4 Ba3 99.06(15) . . ?
Lu1 F4 Ba4 102.11(16) . 6_655 ?
Lu1 F4 Ba2 87.92(14) . . ?
Ba3 F4 Ba4 146.63(18) . 6_655 ?
Ba3 F4 Ba2 101.34(14) . . ?
Ba2 F4 Ba4 104.90(15) . 6_655 ?
Ba1 O3 Ba3 89.26(13) 11_464 . ?
B2 O3 Ba3 116.5(5) . . ?
B2 O3 Ba1 131.5(5) . 11_464 ?
B2 O3 B3 119.8(6) . . ?
B3 O3 Ba3 94.2(4) . . ?
B3 O3 Ba1 96.5(4) . 11_464 ?
B1 O1 Ba3 139.8(5) . . ?
B5 O1 Ba3 89.3(4) 12 . ?
B5 O1 B1 123.9(6) 12 . ?
Lu1 F1 Ba1 93.5(2) . 3_565 ?
Lu1 F1 Ba1 93.5(2) . . ?
Lu1 F1 Ba1 93.5(2) . 2_665 ?
Lu1 F1 Ba1 93.5(2) . 4_655 ?
Ba1 F1 Ba1 91.86(3) 2_665 3_565 ?
Ba1 F1 Ba1 87.72(3) 3_565 . ?
Ba1 F1 Ba1 173.0(4) 2_665 . ?
Ba1 F1 Ba1 173.0(4) 4_655 3_565 ?
Ba1 F1 Ba1 87.72(3) 2_665 4_655 ?
Ba1 F1 Ba1 91.86(3) 4_655 . ?
Lu1 F2 Ba1 102.37(18) . 4_655 ?
Lu1 F2 Ba1 102.37(18) . . ?
Lu1 F2 Ba4 103.8(2) . 5 ?
Ba1 F2 Ba1 98.0(2) 4_655 . ?
Ba1 F2 Ba4 123.44(14) 4_655 5 ?
Ba1 F2 Ba4 123.44(14) . 5 ?
B3 O4 Ba3 115.5(4) . . ?
B3 O4 Ba3 115.5(4) 3_565 . ?
B3 O4 B3 124.4(9) 3_565 . ?
Lu1 F3 Ba3 101.0(2) . 2_665 ?
Lu1 F3 Ba1 106.3(2) . . ?
Lu1 F3 Ba1 106.3(2) . 3_565 ?
Ba1 F3 Ba3 123.11(17) 3_565 2_665 ?
Ba1 F3 Ba3 123.11(17) . 2_665 ?
Ba1 F3 Ba1 95.5(2) 3_565 . ?
O1 B1 O1 115.9(9) 14 . ?
O1 B1 O2 107.5(3) . 14 ?
O1 B1 O2 107.4(3) . . ?
O1 B1 O2 107.4(3) 14 14 ?
O1 B1 O2 107.5(3) 14 . ?
O2 B1 O2 111.1(9) 14 . ?
Ba1 F6 Ba1 98.3(2) 2_664 3_564 ?
Ba1 F6 Ba5 108.96(17) 2_664 . ?
Ba1 F6 Ba5 108.96(17) 3_564 . ?
Ba4 F6 Ba1 110.00(17) . 2_664 ?
Ba4 F6 Ba1 110.00(17) . 3_564 ?
Ba4 F6 Ba5 118.7(2) . . ?
Ba3 O10 Ba1 105.12(18) 10_564 11_464 ?
B3 O10 Ba3 133.9(4) . 10_564 ?
B3 O10 Ba1 89.7(4) . 11_464 ?
B5 O10 Ba3 97.3(4) . 10_564 ?
B5 O10 Ba1 115.7(5) . 11_464 ?
B5 O10 B3 115.3(6) . . ?
Ba1 O6 Ba4 92.59(14) 8_644 6_655 ?
B2 O6 Ba1 91.7(4) . 8_644 ?
B2 O6 Ba4 86.3(5) . 6_655 ?
B2 O6 B4 115.4(6) . . ?
B4 O6 Ba1 122.9(4) . 8_644 ?
B4 O6 Ba4 135.5(4) . 6_655 ?
B4 O9 Ba4 114.0(4) . . ?
B4 O9 Ba4 114.0(4) 4_655 . ?
B4 O9 B4 129.0(9) 4_655 . ?
Ba1 B2 Ba4 83.3(2) 8_644 6_655 ?
O3 B2 Ba1 146.8(6) . 8_644 ?
O3 B2 Ba4 129.9(5) . 6_655 ?
O3 B2 O6 123.5(7) . . ?
O3 B2 O2 123.0(8) . . ?
O6 B2 Ba1 63.0(4) . 8_644 ?
O6 B2 Ba4 70.3(5) . 6_655 ?
O6 B2 O2 113.5(7) . . ?
O2 B2 Ba1 61.6(4) . 8_644 ?
O2 B2 Ba4 69.7(4) . 6_655 ?
Ba1 B3 Ba2 145.8(2) 11_464 . ?
O8 B3 Ba1 160.8(5) . 11_464 ?
O8 B3 Ba2 46.9(3) . . ?
O8 B3 O3 111.5(6) . . ?
O8 B3 O10 108.2(6) . . ?
O3 B3 Ba1 57.6(4) . 11_464 ?
O3 B3 Ba2 102.8(4) . . ?
O4 B3 Ba1 84.0(5) . 11_464 ?
O4 B3 Ba2 73.1(5) . . ?
O4 B3 O8 114.8(7) . . ?
O4 B3 O3 103.4(6) . . ?
O4 B3 O10 112.6(7) . . ?
O10 B3 Ba1 64.5(4) . 11_464 ?
O10 B3 Ba2 148.1(5) . . ?
O10 B3 O3 105.9(6) . . ?
Ba1 O2 Ba4 93.54(15) 8_644 6_655 ?
B1 O2 Ba1 128.6(3) . 8_644 ?
B1 O2 Ba4 121.4(4) . 6_655 ?
B2 O2 Ba1 92.9(4) . 8_644 ?
B2 O2 Ba4 86.7(5) . 6_655 ?
B2 O2 B1 122.8(6) . . ?
B4 O7 Ba4 90.6(5) . . ?
B5 O7 Ba4 135.7(5) . . ?
B5 O7 B4 120.8(6) . . ?
O8 B4 Ba4 136.5(5) . . ?
O8 B4 O6 107.4(6) . . ?
O8 B4 O7 109.7(6) . . ?
O6 B4 Ba4 115.6(4) . . ?
O9 B4 Ba4 44.1(4) . . ?
O9 B4 O8 112.6(7) . . ?
O9 B4 O6 113.2(7) . . ?
O9 B4 O7 106.7(7) . . ?
O7 B4 Ba4 63.9(4) . . ?
O7 B4 O6 107.1(6) . . ?
O1 B5 Ba3 66.6(4) 12_554 10_564 ?
O1 B5 O10 114.5(7) 12_554 . ?
O1 B5 O7 123.0(7) 12_554 . ?
O10 B5 Ba3 58.4(4) . 10_564 ?
O7 B5 Ba3 147.0(6) . 10_564 ?
O7 B5 O10 122.5(7) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ba3 O3 B2 Ba1 154.7(7) . . . 8_644 ?
Ba3 O3 B2 Ba4 -22.8(8) . . . 6_655 ?
Ba3 O3 B2 O6 -114.3(8) . . . . ?
Ba3 O3 B2 O2 67.3(9) . . . . ?
Ba3 O3 B3 Ba1 -89.72(16) . . . 11_464 ?
Ba3 O3 B3 Ba2 59.6(3) . . . . ?
Ba3 O3 B3 O8 108.0(5) . . . . ?
Ba3 O3 B3 O4 -15.8(6) . . . . ?
Ba3 O3 B3 O10 -134.4(5) . . . . ?
Ba3 O1 B1 O1 170.9(6) . . . 14 ?
Ba3 O1 B1 O2 -68.9(7) . . . 14 ?
Ba3 O1 B1 O2 50.7(8) . . . . ?
Ba3 O4 B3 Ba1 74.9(4) . . . 11_464 ?
Ba3 O4 B3 Ba2 -79.4(4) . . . . ?
Ba3 O4 B3 O8 -101.5(6) . . . . ?
Ba3 O4 B3 O3 20.2(7) . . . . ?
Ba3 O4 B3 O10 134.1(5) . . . . ?
Ba3 O10 B3 Ba1 111.0(6) 10_564 . . 11_464 ?
Ba3 O10 B3 Ba2 -54.5(12) 10_564 . . . ?
Ba3 O10 B3 O8 -88.2(7) 10_564 . . . ?
Ba3 O10 B3 O3 152.1(4) 10_564 . . . ?
Ba3 O10 B3 O4 39.8(10) 10_564 . . . ?
Ba3 O10 B5 O1 -37.6(7) 10_564 . . 12_554 ?
Ba3 O10 B5 O7 140.9(7) 10_564 . . . ?
Ba1 O3 B2 Ba1 39.8(13) 11_464 . . 8_644 ?
Ba1 O3 B2 Ba4 -137.8(4) 11_464 . . 6_655 ?
Ba1 O3 B2 O6 130.8(7) 11_464 . . . ?
Ba1 O3 B2 O2 -47.6(11) 11_464 . . . ?
Ba1 O3 B3 Ba2 149.3(2) 11_464 . . . ?
Ba1 O3 B3 O8 -162.2(5) 11_464 . . . ?
Ba1 O3 B3 O4 73.9(6) 11_464 . . . ?
Ba1 O3 B3 O10 -44.7(6) 11_464 . . . ?
Ba1 O10 B3 Ba2 -165.4(8) 11_464 . . . ?
Ba1 O10 B3 O8 160.9(5) 11_464 . . . ?
Ba1 O10 B3 O3 41.2(5) 11_464 . . . ?
Ba1 O10 B3 O4 -71.2(6) 11_464 . . . ?
Ba1 O10 B5 Ba3 110.7(4) 11_464 . . 10_564 ?
Ba1 O10 B5 O1 73.1(7) 11_464 . . 12_554 ?
Ba1 O10 B5 O7 -108.4(7) 11_464 . . . ?
Ba1 O6 B2 Ba4 92.48(14) 8_644 . . 6_655 ?
Ba1 O6 B2 O3 -142.1(8) 8_644 . . . ?
Ba1 O6 B2 O2 36.4(7) 8_644 . . . ?
Ba1 O6 B4 Ba4 -29.7(7) 8_644 . . . ?
Ba1 O6 B4 O8 156.8(4) 8_644 . . . ?
Ba1 O6 B4 O9 -78.3(7) 8_644 . . . ?
Ba1 O6 B4 O7 39.0(8) 8_644 . . . ?
Ba1 B2 O2 Ba4 93.38(16) 8_644 . . 6_655 ?
Ba1 B2 O2 B1 -140.9(7) 8_644 . . . ?
Ba5 O8 B3 Ba1 121.1(13) . . . 11_464 ?
Ba5 O8 B3 Ba2 -99.7(4) . . . . ?
Ba5 O8 B3 O3 172.8(3) . . . . ?
Ba5 O8 B3 O4 -70.1(8) . . . . ?
Ba5 O8 B3 O10 56.6(7) . . . . ?
Ba5 O8 B4 Ba4 -13.3(7) . . . . ?
Ba5 O8 B4 O6 158.2(5) . . . . ?
Ba5 O8 B4 O9 32.9(7) . . . . ?
Ba5 O8 B4 O7 -85.7(6) . . . . ?
Ba4 O6 B2 Ba1 -92.48(14) 6_655 . . 8_644 ?
Ba4 O6 B2 O3 125.4(8) 6_655 . . . ?
Ba4 O6 B2 O2 -56.1(6) 6_655 . . . ?
Ba4 O6 B4 Ba4 107.6(5) 6_655 . . . ?
Ba4 O6 B4 O8 -65.8(8) 6_655 . . . ?
Ba4 O6 B4 O9 59.0(8) 6_655 . . . ?
Ba4 O6 B4 O7 176.3(4) 6_655 . . . ?
Ba4 O9 B4 O8 -134.4(5) . . . . ?
Ba4 O9 B4 O6 103.5(6) . . . . ?
Ba4 O9 B4 O7 -14.0(7) . . . . ?
Ba4 B2 O2 Ba1 -93.38(16) 6_655 . . 8_644 ?
Ba4 B2 O2 B1 125.7(6) 6_655 . . . ?
Ba4 O7 B4 O8 133.0(6) . . . . ?
Ba4 O7 B4 O6 -110.7(5) . . . . ?
Ba4 O7 B4 O9 10.8(5) . . . . ?
Ba4 O7 B5 Ba3 -57.4(12) . . . 10_564 ?
Ba4 O7 B5 O1 40.2(12) . . . 12_554 ?
Ba4 O7 B5 O10 -138.2(6) . . . . ?
Ba2 O8 B3 Ba1 -139.3(13) . . . 11_464 ?
Ba2 O8 B3 O3 -87.6(5) . . . . ?
Ba2 O8 B3 O4 29.5(7) . . . . ?
Ba2 O8 B3 O10 156.3(4) . . . . ?
Ba2 O8 B4 Ba4 -105.1(6) . . . . ?
Ba2 O8 B4 O6 66.4(7) . . . . ?
Ba2 O8 B4 O9 -58.9(8) . . . . ?
Ba2 O8 B4 O7 -177.5(4) . . . . ?
O3 B2 O2 Ba1 141.6(7) . . . 8_644 ?
O3 B2 O2 Ba4 -125.1(8) . . . 6_655 ?
O3 B2 O2 B1 0.7(11) . . . . ?
O1 B1 O2 Ba1 46.9(9) 14 . . 8_644 ?
O1 B1 O2 Ba1 172.4(4) . . . 8_644 ?
O1 B1 O2 Ba4 -78.4(5) 14 . . 6_655 ?
O1 B1 O2 Ba4 47.0(6) . . . 6_655 ?
O1 B1 O2 B2 173.3(6) 14 . . . ?
O1 B1 O2 B2 -61.3(9) . . . . ?
O6 B2 O2 Ba1 -37.0(7) . . . 8_644 ?
O6 B2 O2 Ba4 56.4(6) . . . 6_655 ?
O6 B2 O2 B1 -177.9(6) . . . . ?
B2 O3 B3 Ba1 146.4(7) . . . 11_464 ?
B2 O3 B3 Ba2 -64.3(7) . . . . ?
B2 O3 B3 O8 -15.8(9) . . . . ?
B2 O3 B3 O4 -139.7(7) . . . . ?
B2 O3 B3 O10 101.7(8) . . . . ?
B2 O6 B4 Ba4 -140.0(6) . . . . ?
B2 O6 B4 O8 46.5(9) . . . . ?
B2 O6 B4 O9 171.4(7) . . . . ?
B2 O6 B4 O7 -71.3(8) . . . . ?
B3 O8 B4 Ba4 124.0(7) . . . . ?
B3 O8 B4 O6 -64.6(7) . . . . ?
B3 O8 B4 O9 170.1(6) . . . . ?
B3 O8 B4 O7 51.5(8) . . . . ?
B3 O3 B2 Ba1 -93.0(11) . . . 8_644 ?
B3 O3 B2 Ba4 89.5(8) . . . 6_655 ?
B3 O3 B2 O6 -2.0(12) . . . . ?
B3 O3 B2 O2 179.6(7) . . . . ?
B3 O4 B3 Ba1 -130.0(9) 3_565 . . 11_464 ?
B3 O4 B3 Ba2 75.7(9) 3_565 . . . ?
B3 O4 B3 O8 53.6(13) 3_565 . . . ?
B3 O4 B3 O3 175.3(6) 3_565 . . . ?
B3 O4 B3 O10 -70.8(12) 3_565 . . . ?
B3 O10 B5 Ba3 -146.5(7) . . . 10_564 ?
B3 O10 B5 O1 175.9(7) . . . 12_554 ?
B3 O10 B5 O7 -5.6(11) . . . . ?
O2 B1 O2 Ba1 -70.3(4) 14 . . 8_644 ?
O2 B1 O2 Ba4 164.3(4) 14 . . 6_655 ?
O2 B1 O2 B2 56.0(6) 14 . . . ?
B4 O8 B3 Ba1 -2.1(17) . . . 11_464 ?
B4 O8 B3 Ba2 137.2(6) . . . . ?
B4 O8 B3 O3 49.6(7) . . . . ?
B4 O8 B3 O4 166.8(7) . . . . ?
B4 O8 B3 O10 -66.5(7) . . . . ?
B4 O6 B2 Ba1 128.0(6) . . . 8_644 ?
B4 O6 B2 Ba4 -139.5(6) . . . 6_655 ?
B4 O6 B2 O3 -14.1(11) . . . . ?
B4 O6 B2 O2 164.4(6) . . . . ?
B4 O9 B4 Ba4 -158.7(12) 4_655 . . . ?
B4 O9 B4 O8 66.9(12) 4_655 . . . ?
B4 O9 B4 O6 -55.2(12) 4_655 . . . ?
B4 O9 B4 O7 -172.7(6) 4_655 . . . ?
B4 O7 B5 Ba3 71.5(12) . . . 10_564 ?
B4 O7 B5 O1 169.1(7) . . . 12_554 ?
B4 O7 B5 O10 -9.4(12) . . . . ?
B5 O1 B1 O1 -48.7(6) 12 . . 14 ?
B5 O1 B1 O2 71.4(10) 12 . . 14 ?
B5 O1 B1 O2 -169.0(7) 12 . . . ?
B5 O10 B3 Ba1 -118.5(6) . . . 11_464 ?
B5 O10 B3 Ba2 76.1(10) . . . . ?
B5 O10 B3 O8 42.3(8) . . . . ?
B5 O10 B3 O3 -77.4(8) . . . . ?
B5 O10 B3 O4 170.3(7) . . . . ?
B5 O7 B4 Ba4 -147.0(7) . . . . ?
B5 O7 B4 O8 -14.0(10) . . . . ?
B5 O7 B4 O6 102.3(8) . . . . ?
B5 O7 B4 O9 -136.2(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
