# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_Na3CsB10O17
_database_code_depnum_ccdc_archive 'CCDC 2485108'
loop_
_audit_author_name
_audit_author_address
'Xiangcong Ma'
;UCAS
China
;
_audit_update_record             
;
2025-11-14 deposited with the CCDC.	2025-12-17 downloaded from the CCDC.
;
_audit_creation_date             2025-11-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B10 Cs Na3 O17'
_chemical_formula_sum            'B10 Cs Na3 O17'
_chemical_formula_weight         581.98
_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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        Pc
_space_group_name_Hall           'P -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'

_cell_length_a                   11.3848(5)
_cell_length_b                   6.4819(3)
_cell_length_c                   11.3125(5)
_cell_angle_alpha                90
_cell_angle_beta                 113.466(2)
_cell_angle_gamma                90
_cell_volume                     765.77(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9940
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      27.86
_cell_measurement_theta_min      3.14
_shelx_estimated_absorpt_T_max   0.860
_shelx_estimated_absorpt_T_min   0.819
_exptl_absorpt_coefficient_mu    2.598
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6425
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0783 before and 0.0591 after correction.
The Ratio of minimum to maximum transmission is 0.8617.
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    2.524
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             548
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20890
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.907
_diffrn_reflns_theta_min         3.143
_diffrn_ambient_temperature      170.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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         0.972
_reflns_Friedel_fraction_full    0.986
_reflns_Friedel_fraction_max     0.976
_reflns_number_gt                3535
_reflns_number_total             3639
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.921
_refine_diff_density_min         -0.813
_refine_diff_density_rms         0.120
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.49(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         3639
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0351
_refine_ls_restrained_S_all      1.183
_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)+(0.0257P)²+2.1148P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0813
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.51326
 0.48674
2. Others
 Fixed Sof: Cs1A(0.83) Cs1B(0.17)
;
_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
Na1 Na 0.1470(3) 0.5887(5) 0.1676(3) 0.0208(6) Uani 1 1 d . . . . .
Na2 Na 0.0630(3) 0.0009(5) 0.2598(3) 0.0163(5) Uani 1 1 d . . . . .
Na3 Na 0.9340(6) 0.6080(5) 0.8314(4) 0.0603(16) Uani 1 1 d . . . . .
Cs1A Cs 0.51286(6) -0.33267(8) 0.29597(6) 0.02493(14) Uani 0.83 1 d . . P . .
Cs1B Cs 0.6245(6) -0.6592(7) 0.2299(5) 0.0684(14) Uani 0.17 1 d . . P . .
B1 B 0.9151(7) 1.0670(11) 0.4846(6) 0.0112(13) Uani 1 1 d . . . . .
B2 B 0.8719(7) 0.7145(11) 0.5201(7) 0.0127(14) Uani 1 1 d . . . . .
B3 B 0.8505(7) 0.1767(12) 0.7997(7) 0.0136(13) Uani 1 1 d . . . . .
B4 B 0.8676(7) 0.3516(11) 0.6042(7) 0.0122(13) Uani 1 1 d . . . . .
B5 B 0.6755(7) 0.1649(12) 0.5869(7) 0.0144(13) Uani 1 1 d . . . . .
B6 B 0.4508(7) 0.1640(12) 0.4264(7) 0.0161(14) Uani 1 1 d . . . . .
B7 B 0.2591(7) 0.3507(11) 0.4132(7) 0.0131(13) Uani 1 1 d . . . . .
B8 B 0.2716(7) 0.1785(10) 0.2166(7) 0.0117(13) Uani 1 1 d . . . . .
B9 B 0.2108(7) 0.0692(11) 0.5357(7) 0.0125(14) Uani 1 1 d . . . . .
B10 B 0.2516(8) -0.2861(12) 0.4963(7) 0.0122(14) Uani 1 1 d . . . . .
O1 O 0.9376(4) 1.2652(7) 0.5270(4) 0.0117(9) Uani 1 1 d . . . . .
O2 O 0.9188(4) 1.0153(7) 0.3694(4) 0.0111(9) Uani 1 1 d . . . . .
O3 O 0.8952(5) 0.9193(7) 0.5623(4) 0.0157(9) Uani 1 1 d . . . . .
O4 O 0.8403(5) 0.6722(8) 0.3945(4) 0.0174(11) Uani 1 1 d . . . . .
O5 O 0.8889(5) 0.5747(7) 0.6141(4) 0.0155(9) Uani 1 1 d . . . . .
O6 O 0.7319(5) 0.3011(7) 0.5359(5) 0.0134(9) Uani 1 1 d . . . . .
O7 O 0.9232(4) 0.2696(7) 0.7343(4) 0.0108(8) Uani 1 1 d . . . . .
O8 O 0.7224(4) 0.1152(7) 0.7141(4) 0.0160(9) Uani 1 1 d . . . . .
O9 O 0.5636(5) 0.0693(7) 0.5057(5) 0.0196(9) Uani 1 1 d . . . . .
O10 O 0.4002(4) 0.1127(7) 0.2998(4) 0.0144(9) Uani 1 1 d . . . . .
O11 O 0.3959(5) 0.3029(7) 0.4784(5) 0.0166(9) Uani 1 1 d . . . . .
O12 O 0.2008(4) 0.2687(7) 0.2838(4) 0.0109(8) Uani 1 1 d . . . . .
O13 O 0.1910(5) 0.2701(7) 0.4922(4) 0.0149(10) Uani 1 1 d . . . . .
O14 O 0.2019(4) 0.0122(7) 0.6462(4) 0.0135(9) Uani 1 1 d . . . . .
O15 O 0.2318(4) -0.0784(7) 0.4564(4) 0.0133(9) Uani 1 1 d . . . . .
O16 O 0.2759(5) -0.3323(7) 0.6198(5) 0.0152(9) Uani 1 1 d . . . . .
O17 O 0.2408(5) -0.4221(7) 0.4024(4) 0.0153(9) 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
Na1 Na2 3.152(5) 1_565 ?
Na1 B4 2.995(8) 2_464 ?
Na1 B7 2.984(8) . ?
Na1 B8 2.960(8) . ?
Na1 B9 2.921(8) 2_564 ?
Na1 O1 2.468(5) 2_474 ?
Na1 O5 2.950(6) 2_464 ?
Na1 O12 2.401(5) . ?
Na1 O13 2.411(5) 2_564 ?
Na1 O14 2.695(6) 2_564 ?
Na1 O16 2.416(6) 2_554 ?
Na1 O17 2.438(6) 1_565 ?
Na2 B1 2.923(7) 2_464 ?
Na2 B3 2.873(8) 2_454 ?
Na2 B8 2.851(8) . ?
Na2 B9 2.930(7) . ?
Na2 O1 2.992(5) 2_464 ?
Na2 O2 2.421(6) 1_445 ?
Na2 O3 2.347(5) 2_464 ?
Na2 O7 2.308(5) 2_454 ?
Na2 O12 2.282(5) . ?
Na2 O13 3.005(5) . ?
Na2 O14 2.404(5) 2_554 ?
Na2 O15 2.346(5) . ?
Na3 Cs1B 3.258(8) 2 ?
Na3 B1 2.790(8) 2_575 ?
Na3 B3 2.928(8) . ?
Na3 B4 2.897(8) . ?
Na3 O1 2.346(5) 2_575 ?
Na3 O2 2.497(6) 2_575 ?
Na3 O4 2.356(6) 2_565 ?
Na3 O5 2.313(6) . ?
Na3 O7 2.434(6) . ?
Na3 O13 2.873(7) 2_665 ?
Cs1A Cs1B 2.722(6) . ?
Cs1A B5 3.701(7) 2_554 ?
Cs1A B6 3.762(8) 1_545 ?
Cs1A B6 3.724(8) . ?
Cs1A O4 3.440(5) 1_545 ?
Cs1A O6 3.719(5) 1_545 ?
Cs1A O8 3.209(5) 2_554 ?
Cs1A O9 3.415(5) . ?
Cs1A O10 3.166(5) . ?
Cs1A O11 3.715(5) 1_545 ?
Cs1A O11 3.302(5) 2_554 ?
Cs1A O16 3.418(5) 2_544 ?
Cs1B B6 3.697(9) 1_545 ?
Cs1B O2 3.735(8) 1_535 ?
Cs1B O4 3.236(7) 1_545 ?
Cs1B O6 3.189(7) 1_545 ?
Cs1B O6 3.720(7) 2_554 ?
Cs1B O8 3.189(7) 2_544 ?
Cs1B O8 3.724(6) 2_554 ?
Cs1B O9 3.547(7) 2_544 ?
Cs1B O10 3.308(7) 1_545 ?
Cs1B O16 3.656(8) 2_544 ?
B1 O1 1.359(8) . ?
B1 O2 1.363(8) . ?
B1 O3 1.378(8) . ?
B2 O3 1.400(8) . ?
B2 O4 1.347(8) . ?
B2 O5 1.351(8) . ?
B3 O2 1.512(8) 2_565 ?
B3 O4 1.491(9) 2_565 ?
B3 O7 1.443(8) . ?
B3 O8 1.449(8) . ?
B4 O1 1.506(8) 1_545 ?
B4 O5 1.463(8) . ?
B4 O6 1.463(9) . ?
B4 O7 1.451(8) . ?
B5 O6 1.348(9) . ?
B5 O8 1.359(8) . ?
B5 O9 1.385(9) . ?
B6 O9 1.383(9) . ?
B6 O10 1.356(9) . ?
B6 O11 1.357(9) . ?
B7 O11 1.466(9) . ?
B7 O12 1.447(8) . ?
B7 O13 1.492(8) . ?
B7 O17 1.486(8) 1_565 ?
B8 O10 1.454(8) . ?
B8 O12 1.434(8) . ?
B8 O14 1.512(8) 2_554 ?
B8 O16 1.496(8) 2_554 ?
B9 O13 1.378(9) . ?
B9 O14 1.345(9) . ?
B9 O15 1.395(8) . ?
B10 O15 1.409(9) . ?
B10 O16 1.345(8) . ?
B10 O17 1.348(9) . ?

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
B4 Na1 Na2 62.36(16) 2_464 1_565 ?
B7 Na1 Na2 101.75(17) . 1_565 ?
B7 Na1 B4 108.0(2) . 2_464 ?
B8 Na1 Na2 152.29(18) . 1_565 ?
B8 Na1 B4 123.0(2) . 2_464 ?
B8 Na1 B7 50.6(2) . . ?
B9 Na1 Na2 72.26(18) 2_564 1_565 ?
B9 Na1 B4 103.6(2) 2_564 2_464 ?
B9 Na1 B7 140.1(2) 2_564 . ?
B9 Na1 B8 125.4(2) 2_564 . ?
B9 Na1 O5 126.7(2) 2_564 2_464 ?
O1 Na1 Na2 62.94(13) 2_474 1_565 ?
O1 Na1 B4 30.07(17) 2_474 2_464 ?
O1 Na1 B7 138.0(2) 2_474 . ?
O1 Na1 B8 137.2(2) 2_474 . ?
O1 Na1 B9 75.7(2) 2_474 2_564 ?
O1 Na1 O5 51.53(15) 2_474 2_464 ?
O1 Na1 O14 76.86(17) 2_474 2_564 ?
O5 Na1 Na2 87.90(13) 2_464 1_565 ?
O5 Na1 B4 28.49(16) 2_464 2_464 ?
O5 Na1 B7 91.56(19) 2_464 . ?
O5 Na1 B8 94.57(19) 2_464 . ?
O12 Na1 Na2 126.59(17) . 1_565 ?
O12 Na1 B4 104.9(2) . 2_464 ?
O12 Na1 B7 28.64(17) . . ?
O12 Na1 B8 28.68(17) . . ?
O12 Na1 B9 151.0(2) . 2_564 ?
O12 Na1 O1 130.9(2) . 2_474 ?
O12 Na1 O5 79.54(16) . 2_464 ?
O12 Na1 O13 133.4(2) . 2_564 ?
O12 Na1 O14 149.4(2) . 2_564 ?
O12 Na1 O16 58.87(17) . 2_554 ?
O12 Na1 O17 58.21(16) . 1_565 ?
O13 Na1 Na2 98.04(16) 2_564 1_565 ?
O13 Na1 B4 107.6(2) 2_564 2_464 ?
O13 Na1 B7 144.1(2) 2_564 . ?
O13 Na1 B8 104.7(2) 2_564 . ?
O13 Na1 B9 27.92(18) 2_564 2_564 ?
O13 Na1 O1 77.75(18) 2_564 2_474 ?
O13 Na1 O5 118.91(19) 2_564 2_464 ?
O13 Na1 O14 55.25(16) 2_564 2_564 ?
O13 Na1 O16 74.57(17) 2_564 2_554 ?
O13 Na1 O17 139.7(2) 2_564 1_565 ?
O14 Na1 Na2 47.76(12) 2_564 1_565 ?
O14 Na1 B4 96.69(19) 2_564 2_464 ?
O14 Na1 B7 123.5(2) 2_564 . ?
O14 Na1 B8 140.2(2) 2_564 . ?
O14 Na1 B9 27.33(18) 2_564 2_564 ?
O14 Na1 O5 125.01(17) 2_564 2_464 ?
O16 Na1 Na2 161.49(18) 2_554 1_565 ?
O16 Na1 B4 135.8(2) 2_554 2_464 ?
O16 Na1 B7 77.29(19) 2_554 . ?
O16 Na1 B8 30.21(17) 2_554 . ?
O16 Na1 B9 96.4(2) 2_554 2_564 ?
O16 Na1 O1 129.6(2) 2_554 2_474 ?
O16 Na1 O5 110.56(18) 2_554 2_464 ?
O16 Na1 O14 117.19(19) 2_554 2_564 ?
O16 Na1 O17 100.53(19) 2_554 1_565 ?
O17 Na1 Na2 73.89(15) 1_565 1_565 ?
O17 Na1 B4 103.1(2) 1_565 2_464 ?
O17 Na1 B7 29.69(17) 1_565 . ?
O17 Na1 B8 78.53(19) 1_565 . ?
O17 Na1 B9 119.2(2) 1_565 2_564 ?
O17 Na1 O1 127.2(2) 1_565 2_474 ?
O17 Na1 O5 100.45(18) 1_565 2_464 ?
O17 Na1 O14 96.24(18) 1_565 2_564 ?
B1 Na2 B9 179.9(3) 2_464 . ?
B1 Na2 O1 26.54(16) 2_464 2_464 ?
B1 Na2 O13 153.2(2) 2_464 . ?
B3 Na2 B1 86.7(2) 2_454 2_464 ?
B3 Na2 B9 93.2(2) 2_454 . ?
B3 Na2 O1 76.75(18) 2_454 2_464 ?
B3 Na2 O13 103.89(19) 2_454 . ?
B8 Na2 B1 92.5(2) . 2_464 ?
B8 Na2 B3 179.2(2) . 2_454 ?
B8 Na2 B9 87.6(2) . . ?
B8 Na2 O1 102.71(19) . 2_464 ?
B8 Na2 O13 76.64(18) . . ?
B9 Na2 O1 153.5(2) . 2_464 ?
B9 Na2 O13 26.82(17) . . ?
O1 Na2 O13 179.35(18) 2_464 . ?
O2 Na2 B1 109.31(19) 1_445 2_464 ?
O2 Na2 B3 31.76(18) 1_445 2_454 ?
O2 Na2 B8 148.6(2) 1_445 . ?
O2 Na2 B9 70.6(2) 1_445 . ?
O2 Na2 O1 106.84(16) 1_445 2_464 ?
O2 Na2 O13 73.78(16) 1_445 . ?
O3 Na2 B1 27.66(19) 2_464 2_464 ?
O3 Na2 B3 79.7(2) 2_464 2_454 ?
O3 Na2 B8 99.5(2) 2_464 . ?
O3 Na2 B9 152.3(2) 2_464 . ?
O3 Na2 O1 50.74(15) 2_464 2_464 ?
O3 Na2 O2 91.03(18) 2_464 1_445 ?
O3 Na2 O13 129.21(19) 2_464 . ?
O3 Na2 O14 87.62(19) 2_464 2_554 ?
O7 Na2 B1 71.12(18) 2_454 2_464 ?
O7 Na2 B3 29.88(18) 2_454 2_454 ?
O7 Na2 B8 150.0(2) 2_454 . ?
O7 Na2 B9 108.8(2) 2_454 . ?
O7 Na2 O1 52.30(14) 2_454 2_464 ?
O7 Na2 O2 61.22(16) 2_454 1_445 ?
O7 Na2 O3 77.82(18) 2_454 2_464 ?
O7 Na2 O13 128.34(18) 2_454 . ?
O7 Na2 O14 118.3(2) 2_454 2_554 ?
O7 Na2 O15 102.46(19) 2_454 . ?
O12 Na2 B1 108.6(2) . 2_464 ?
O12 Na2 B3 150.2(2) . 2_454 ?
O12 Na2 B8 29.91(18) . . ?
O12 Na2 B9 71.5(2) . . ?
O12 Na2 O1 127.42(18) . 2_464 ?
O12 Na2 O2 118.9(2) . 1_445 ?
O12 Na2 O3 101.9(2) . 2_464 ?
O12 Na2 O7 179.7(2) . 2_454 ?
O12 Na2 O13 51.95(15) . . ?
O12 Na2 O14 61.51(17) . 2_554 ?
O12 Na2 O15 77.82(18) . . ?
O14 Na2 B1 69.4(2) 2_554 2_464 ?
O14 Na2 B3 147.6(2) 2_554 2_454 ?
O14 Na2 B8 32.04(17) 2_554 . ?
O14 Na2 B9 110.7(2) 2_554 . ?
O14 Na2 O1 72.19(16) 2_554 2_464 ?
O14 Na2 O2 178.6(2) 2_554 1_445 ?
O14 Na2 O13 107.18(17) 2_554 . ?
O15 Na2 B1 152.1(2) . 2_464 ?
O15 Na2 B3 100.7(2) . 2_454 ?
O15 Na2 B8 80.1(2) . . ?
O15 Na2 B9 27.96(18) . . ?
O15 Na2 O1 129.19(18) . 2_464 ?
O15 Na2 O2 89.38(18) . 1_445 ?
O15 Na2 O3 179.6(2) . 2_464 ?
O15 Na2 O13 50.85(15) . . ?
O15 Na2 O14 91.97(18) . 2_554 ?
Na2 Na3 Na1 96.37(15) 2_665 1_656 ?
Na2 Na3 Cs1B 111.84(17) 2_665 2 ?
Cs1B Na3 Na1 123.61(15) 2 1_656 ?
B1 Na3 Na1 63.71(17) 2_575 1_656 ?
B1 Na3 Na2 73.45(17) 2_575 2_665 ?
B1 Na3 Cs1B 78.6(2) 2_575 2 ?
B1 Na3 B3 134.1(3) 2_575 . ?
B1 Na3 B4 158.0(3) 2_575 . ?
B1 Na3 O13 73.1(2) 2_575 2_665 ?
B3 Na3 Na1 98.34(18) . 1_656 ?
B3 Na3 Na2 152.5(2) . 2_665 ?
B3 Na3 Cs1B 78.6(2) . 2 ?
B4 Na3 Na1 138.0(2) . 1_656 ?
B4 Na3 Na2 102.38(18) . 2_665 ?
B4 Na3 Cs1B 83.3(2) . 2 ?
B4 Na3 B3 52.1(2) . . ?
O1 Na3 Na1 42.75(14) 2_575 1_656 ?
O1 Na3 Na2 97.13(17) 2_575 2_665 ?
O1 Na3 Cs1B 84.7(2) 2_575 2 ?
O1 Na3 B1 29.09(17) 2_575 2_575 ?
O1 Na3 B3 109.5(2) 2_575 . ?
O1 Na3 B4 159.8(3) 2_575 . ?
O1 Na3 O2 58.10(17) 2_575 2_575 ?
O1 Na3 O4 79.9(2) 2_575 2_565 ?
O1 Na3 O7 136.1(2) 2_575 . ?
O1 Na3 O13 71.04(18) 2_575 2_665 ?
O2 Na3 Na1 85.19(15) 2_575 1_656 ?
O2 Na3 Na2 48.50(14) 2_575 2_665 ?
O2 Na3 Cs1B 79.7(2) 2_575 2 ?
O2 Na3 B1 29.21(18) 2_575 2_575 ?
O2 Na3 B3 156.0(3) 2_575 . ?
O2 Na3 B4 134.6(2) 2_575 . ?
O2 Na3 O13 75.21(18) 2_575 2_665 ?
O4 Na3 Na1 81.32(17) 2_565 1_656 ?
O4 Na3 Na2 177.00(19) 2_565 2_665 ?
O4 Na3 Cs1B 68.2(2) 2_565 2 ?
O4 Na3 B1 103.7(2) 2_565 2_575 ?
O4 Na3 B3 30.39(19) 2_565 . ?
O4 Na3 B4 80.6(2) 2_565 . ?
O4 Na3 O2 129.1(3) 2_565 2_575 ?
O4 Na3 O7 59.64(18) 2_565 . ?
O4 Na3 O13 119.3(2) 2_565 2_665 ?
O5 Na3 Na1 152.7(3) . 1_656 ?
O5 Na3 Na2 74.57(16) . 2_665 ?
O5 Na3 Cs1B 83.3(2) . 2 ?
O5 Na3 B1 133.7(3) . 2_575 ?
O5 Na3 B3 81.8(2) . . ?
O5 Na3 B4 30.05(18) . . ?
O5 Na3 O1 161.6(3) . 2_575 ?
O5 Na3 O2 105.8(2) . 2_575 ?
O5 Na3 O4 108.3(2) . 2_565 ?
O5 Na3 O7 59.08(17) . . ?
O5 Na3 O13 115.9(2) . 2_665 ?
O7 Na3 Na1 109.66(19) . 1_656 ?
O7 Na3 Na2 123.14(19) . 2_665 ?
O7 Na3 Cs1B 94.6(2) . 2 ?
O7 Na3 B1 163.4(2) . 2_575 ?
O7 Na3 B3 29.41(18) . . ?
O7 Na3 B4 30.01(17) . . ?
O7 Na3 O2 164.6(2) . 2_575 ?
O7 Na3 O13 112.9(3) . 2_665 ?
O13 Na3 Na1 41.79(12) 2_665 1_656 ?
O13 Na3 Na2 59.12(14) 2_665 2_665 ?
O13 Na3 Cs1B 151.70(18) 2_665 2 ?
O13 Na3 B3 122.6(2) 2_665 . ?
O13 Na3 B4 124.0(3) 2_665 . ?
Cs1B Cs1A B5 69.26(15) . 2_554 ?
Cs1B Cs1A B6 164.54(16) . . ?
Cs1B Cs1A B6 67.33(15) . 1_545 ?
Cs1B Cs1A O4 62.07(14) . 1_545 ?
Cs1B Cs1A O6 56.86(14) . 1_545 ?
Cs1B Cs1A O8 77.30(13) . 2_554 ?
Cs1B Cs1A O9 144.65(14) . . ?
Cs1B Cs1A O10 161.55(12) . . ?
Cs1B Cs1A O11 77.12(14) . 2_554 ?
Cs1B Cs1A O11 88.16(12) . 1_545 ?
Cs1B Cs1A O16 72.08(14) . 2_544 ?
B5 Cs1A B6 102.79(18) 2_554 . ?
B5 Cs1A B6 136.51(18) 2_554 1_545 ?
B5 Cs1A O6 107.05(14) 2_554 1_545 ?
B5 Cs1A O11 157.40(14) 2_554 1_545 ?
B6 Cs1A B6 120.0(2) . 1_545 ?
O4 Cs1A B5 56.69(14) 1_545 2_554 ?
O4 Cs1A B6 102.46(15) 1_545 . ?
O4 Cs1A B6 103.26(15) 1_545 1_545 ?
O4 Cs1A O6 56.22(11) 1_545 1_545 ?
O4 Cs1A O11 114.05(11) 1_545 1_545 ?
O6 Cs1A B6 116.13(14) 1_545 . ?
O6 Cs1A B6 48.41(14) 1_545 1_545 ?
O8 Cs1A B5 21.19(14) 2_554 2_554 ?
O8 Cs1A B6 140.49(15) 2_554 1_545 ?
O8 Cs1A B6 90.86(15) 2_554 . ?
O8 Cs1A O4 41.85(12) 2_554 1_545 ?
O8 Cs1A O6 97.56(11) 2_554 1_545 ?
O8 Cs1A O9 85.75(12) 2_554 . ?
O8 Cs1A O11 155.76(11) 2_554 1_545 ?
O8 Cs1A O11 71.60(12) 2_554 2_554 ?
O8 Cs1A O16 127.99(12) 2_554 2_544 ?
O9 Cs1A B5 103.33(15) . 2_554 ?
O9 Cs1A B6 113.29(15) . 1_545 ?
O9 Cs1A B6 21.79(14) . . ?
O9 Cs1A O4 84.62(12) . 1_545 ?
O9 Cs1A O6 95.81(11) . 1_545 ?
O9 Cs1A O11 95.62(12) . 1_545 ?
O9 Cs1A O16 139.98(12) . 2_544 ?
O10 Cs1A B5 92.83(15) . 2_554 ?
O10 Cs1A B6 130.17(15) . 1_545 ?
O10 Cs1A B6 20.73(14) . . ?
O10 Cs1A O4 112.33(12) . 1_545 ?
O10 Cs1A O6 136.86(11) . 1_545 ?
O10 Cs1A O8 87.44(12) . 2_554 ?
O10 Cs1A O9 41.61(11) . . ?
O10 Cs1A O11 88.36(11) . 2_554 ?
O10 Cs1A O11 109.60(11) . 1_545 ?
O10 Cs1A O16 110.94(12) . 2_544 ?
O11 Cs1A B5 51.33(14) 2_554 2_554 ?
O11 Cs1A B6 20.89(14) 1_545 1_545 ?
O11 Cs1A B6 99.38(14) 1_545 . ?
O11 Cs1A B6 114.84(14) 2_554 1_545 ?
O11 Cs1A B6 108.82(14) 2_554 . ?
O11 Cs1A O4 105.52(12) 2_554 1_545 ?
O11 Cs1A O6 58.21(10) 1_545 1_545 ?
O11 Cs1A O6 133.94(12) 2_554 1_545 ?
O11 Cs1A O9 126.49(11) 2_554 . ?
O11 Cs1A O11 124.27(11) 2_554 1_545 ?
O11 Cs1A O16 61.32(11) 2_554 2_544 ?
O16 Cs1A B5 107.07(14) 2_544 2_554 ?
O16 Cs1A B6 123.37(14) 2_544 . ?
O16 Cs1A B6 56.62(14) 2_544 1_545 ?
O16 Cs1A O4 134.15(13) 2_544 1_545 ?
O16 Cs1A O6 99.44(11) 2_544 1_545 ?
O16 Cs1A O11 62.98(11) 2_544 1_545 ?
Na3 Cs1B B6 125.6(2) 2_554 1_545 ?
Na3 Cs1B O2 41.13(12) 2_554 1_535 ?
Na3 Cs1B O6 65.23(13) 2_554 2_554 ?
Na3 Cs1B O8 67.55(12) 2_554 2_554 ?
Na3 Cs1B O9 101.79(18) 2_554 2_544 ?
Na3 Cs1B O10 142.3(2) 2_554 1_545 ?
Na3 Cs1B O16 174.96(18) 2_554 2_544 ?
Cs1A Cs1B Na3 112.44(16) . 2_554 ?
Cs1A Cs1B B6 69.87(17) . 1_545 ?
Cs1A Cs1B O2 139.61(19) . 1_535 ?
Cs1A Cs1B O4 69.91(14) . 1_545 ?
Cs1A Cs1B O6 77.53(14) . 1_545 ?
Cs1A Cs1B O6 88.61(14) . 2_554 ?
Cs1A Cs1B O8 161.43(19) . 2_544 ?
Cs1A Cs1B O8 57.21(11) . 2_554 ?
Cs1A Cs1B O9 143.1(2) . 2_544 ?
Cs1A Cs1B O10 78.03(16) . 1_545 ?
Cs1A Cs1B O16 62.81(14) . 2_544 ?
B6 Cs1B O2 100.12(19) 1_545 1_535 ?
B6 Cs1B O6 158.2(2) 1_545 2_554 ?
B6 Cs1B O8 124.4(2) 1_545 2_554 ?
O4 Cs1B Na3 42.54(13) 1_545 2_554 ?
O4 Cs1B B6 108.98(19) 1_545 1_545 ?
O4 Cs1B O2 77.54(17) 1_545 1_535 ?
O4 Cs1B O6 64.70(14) 1_545 2_554 ?
O4 Cs1B O8 39.29(12) 1_545 2_554 ?
O4 Cs1B O9 142.8(2) 1_545 2_544 ?
O4 Cs1B O10 129.85(19) 1_545 1_545 ?
O4 Cs1B O16 132.7(2) 1_545 2_544 ?
O6 Cs1B Na3 74.49(16) 1_545 2_554 ?
O6 Cs1B B6 52.28(16) 1_545 1_545 ?
O6 Cs1B O2 66.70(16) 1_545 1_535 ?
O6 Cs1B O2 98.71(17) 2_554 1_535 ?
O6 Cs1B O4 63.52(15) 1_545 1_545 ?
O6 Cs1B O6 128.07(19) 1_545 2_554 ?
O6 Cs1B O8 37.40(11) 2_554 2_554 ?
O6 Cs1B O8 97.82(16) 1_545 2_554 ?
O6 Cs1B O9 126.7(2) 1_545 2_544 ?
O6 Cs1B O10 72.75(15) 1_545 1_545 ?
O6 Cs1B O16 105.28(17) 1_545 2_544 ?
O8 Cs1B Na3 76.19(17) 2_544 2_554 ?
O8 Cs1B B6 91.67(18) 2_544 1_545 ?
O8 Cs1B O2 39.25(13) 2_544 1_535 ?
O8 Cs1B O2 108.66(17) 2_554 1_535 ?
O8 Cs1B O4 116.4(2) 2_544 1_545 ?
O8 Cs1B O6 89.70(19) 2_544 1_545 ?
O8 Cs1B O6 109.93(18) 2_544 2_554 ?
O8 Cs1B O8 139.2(2) 2_544 2_554 ?
O8 Cs1B O9 40.39(12) 2_544 2_544 ?
O8 Cs1B O10 85.39(16) 2_544 1_545 ?
O8 Cs1B O16 108.85(16) 2_544 2_544 ?
O9 Cs1B B6 101.45(18) 2_544 1_545 ?
O9 Cs1B O2 76.46(15) 2_544 1_535 ?
O9 Cs1B O6 93.58(16) 2_544 2_554 ?
O9 Cs1B O8 130.71(18) 2_544 2_554 ?
O9 Cs1B O16 82.43(15) 2_544 2_544 ?
O10 Cs1B B6 21.40(14) 1_545 1_545 ?
O10 Cs1B O2 107.15(17) 1_545 1_535 ?
O10 Cs1B O6 152.4(2) 1_545 2_554 ?
O10 Cs1B O8 135.2(2) 1_545 2_554 ?
O10 Cs1B O9 83.46(15) 1_545 2_544 ?
O10 Cs1B O16 40.35(13) 1_545 2_544 ?
O16 Cs1B B6 55.40(16) 2_544 1_545 ?
O16 Cs1B O2 143.58(16) 2_544 1_535 ?
O16 Cs1B O6 112.06(18) 2_544 2_554 ?
O16 Cs1B O8 107.63(18) 2_544 2_554 ?
Na2 B1 Cs1B 145.7(2) 2_665 1_575 ?
Na3 B1 Na2 128.4(3) 2_574 2_665 ?
Na3 B1 Cs1B 56.12(18) 2_574 1_575 ?
O1 B1 Na2 79.6(3) . 2_665 ?
O1 B1 Na3 57.0(3) . 2_574 ?
O1 B1 Cs1B 79.3(3) . 1_575 ?
O1 B1 O2 119.8(6) . . ?
O1 B1 O3 119.1(5) . . ?
O2 B1 Na2 139.2(4) . 2_665 ?
O2 B1 Na3 63.4(3) . 2_574 ?
O2 B1 Cs1B 75.1(3) . 1_575 ?
O2 B1 O3 121.0(6) . . ?
O3 B1 Na2 52.2(3) . 2_665 ?
O3 B1 Na3 173.5(5) . 2_574 ?
O3 B1 Cs1B 119.2(4) . 1_575 ?
O3 B2 Cs1A 107.8(4) . 1_565 ?
O4 B2 Cs1A 61.6(4) . 1_565 ?
O4 B2 O3 119.2(6) . . ?
O4 B2 O5 126.0(6) . . ?
O5 B2 Cs1A 104.2(4) . 1_565 ?
O5 B2 O3 114.8(6) . . ?
Na2 B3 Na3 98.6(3) 2_655 . ?
Na2 B3 Cs1A 167.3(3) 2_655 2 ?
Na2 B3 Cs1B 144.4(3) 2_655 2 ?
Na3 B3 Cs1A 91.4(2) . 2 ?
Na3 B3 Cs1B 54.5(2) . 2 ?
Cs1B B3 Cs1A 40.40(12) 2 2 ?
O2 B3 Na2 57.4(3) 2_565 2_655 ?
O2 B3 Na3 130.4(4) 2_565 . ?
O2 B3 Cs1A 120.8(4) 2_565 2 ?
O2 B3 Cs1B 157.0(4) 2_565 2 ?
O4 B3 Na2 133.5(5) 2_565 2_655 ?
O4 B3 Na3 53.1(3) 2_565 . ?
O4 B3 Cs1A 59.1(3) 2_565 2 ?
O4 B3 Cs1B 52.3(3) 2_565 2 ?
O4 B3 O2 109.7(5) 2_565 2_565 ?
O7 B3 Na2 52.8(3) . 2_655 ?
O7 B3 Na3 55.9(3) . . ?
O7 B3 Cs1A 129.8(4) . 2 ?
O7 B3 Cs1B 91.6(4) . 2 ?
O7 B3 O2 109.3(5) . 2_565 ?
O7 B3 O4 108.6(5) . 2_565 ?
O7 B3 O8 113.7(5) . . ?
O8 B3 Na2 118.1(4) . 2_655 ?
O8 B3 Na3 122.4(4) . . ?
O8 B3 Cs1A 49.3(3) . 2 ?
O8 B3 Cs1B 71.3(4) . 2 ?
O8 B3 O2 107.1(5) . 2_565 ?
O8 B3 O4 108.4(6) . 2_565 ?
Na3 B4 Na1 80.6(2) . 2_665 ?
O1 B4 Na1 55.2(3) 1_545 2_665 ?
O1 B4 Na3 135.8(4) 1_545 . ?
O5 B4 Na1 74.1(3) . 2_665 ?
O5 B4 Na3 52.3(3) . . ?
O5 B4 O1 107.5(5) . 1_545 ?
O6 B4 Na1 162.4(5) . 2_665 ?
O6 B4 Na3 116.4(4) . . ?
O6 B4 O1 107.6(5) . 1_545 ?
O6 B4 O5 111.7(5) . . ?
O7 B4 Na1 79.2(4) . 2_665 ?
O7 B4 Na3 57.1(3) . . ?
O7 B4 O1 109.5(5) . 1_545 ?
O7 B4 O5 107.0(5) . . ?
O7 B4 O6 113.3(5) . . ?
Cs1A B5 Cs1B 77.36(16) 2 2_545 ?
Cs1A B5 Cs1B 42.93(12) 2 2 ?
Cs1B B5 Cs1B 118.6(2) 2 2_545 ?
O6 B5 Cs1A 121.7(4) . 2 ?
O6 B5 Cs1B 157.8(5) . 2_545 ?
O6 B5 Cs1B 78.8(4) . 2 ?
O6 B5 O8 123.7(6) . . ?
O6 B5 O9 118.6(6) . . ?
O8 B5 Cs1A 58.6(3) . 2 ?
O8 B5 Cs1B 78.9(4) . 2 ?
O8 B5 Cs1B 53.6(4) . 2_545 ?
O8 B5 O9 117.8(6) . . ?
O9 B5 Cs1A 89.6(4) . 2 ?
O9 B5 Cs1B 114.2(4) . 2 ?
O9 B5 Cs1B 68.9(4) . 2_545 ?
Cs1A B6 Cs1A 120.0(2) . 1_565 ?
Cs1B B6 Cs1A 42.80(12) 1_565 1_565 ?
Cs1B B6 Cs1A 78.37(17) 1_565 . ?
O9 B6 Cs1A 111.6(4) . 1_565 ?
O9 B6 Cs1A 66.4(4) . . ?
O9 B6 Cs1B 86.9(4) . 1_565 ?
O10 B6 Cs1A 82.2(4) . 1_565 ?
O10 B6 Cs1A 55.8(3) . . ?
O10 B6 Cs1B 62.9(4) . 1_565 ?
O10 B6 O9 118.1(6) . . ?
O10 B6 O11 123.1(6) . . ?
O11 B6 Cs1A 159.8(5) . . ?
O11 B6 Cs1A 77.6(4) . 1_565 ?
O11 B6 Cs1B 120.3(5) . 1_565 ?
O11 B6 O9 118.8(6) . . ?
Na1 B7 Na2 85.0(2) . . ?
O11 B7 Na1 123.5(4) . . ?
O11 B7 Na2 120.0(4) . . ?
O11 B7 O13 109.0(5) . . ?
O11 B7 O17 109.7(5) . 1_565 ?
O12 B7 Na1 52.7(3) . . ?
O12 B7 Na2 40.9(3) . . ?
O12 B7 O11 113.5(5) . . ?
O12 B7 O13 109.8(5) . . ?
O12 B7 O17 106.7(5) . 1_565 ?
O13 B7 Na1 127.4(4) . . ?
O13 B7 Na2 69.9(3) . . ?
O17 B7 Na1 54.3(3) 1_565 . ?
O17 B7 Na2 128.2(4) 1_565 . ?
O17 B7 O13 107.9(5) 1_565 . ?
Na2 B8 Na1 91.4(2) . . ?
O10 B8 Na1 131.9(4) . . ?
O10 B8 Na2 117.6(4) . . ?
O10 B8 O14 106.4(5) . 2_554 ?
O10 B8 O16 110.5(5) . 2_554 ?
O12 B8 Na1 53.5(3) . . ?
O12 B8 Na2 52.5(3) . . ?
O12 B8 O10 114.2(5) . . ?
O12 B8 O14 109.0(5) . 2_554 ?
O12 B8 O16 107.8(5) . 2_554 ?
O14 B8 Na1 121.6(4) 2_554 . ?
O14 B8 Na2 57.5(3) 2_554 . ?
O16 B8 Na1 54.4(3) 2_554 . ?
O16 B8 Na2 131.9(4) 2_554 . ?
O16 B8 O14 108.8(5) 2_554 2_554 ?
Na1 B9 Na2 120.3(3) 2_565 . ?
Na1 B9 Cs1A 66.89(14) 2_565 2 ?
Na2 B9 Cs1A 145.7(3) . 2 ?
O13 B9 Na1 55.0(3) . 2_565 ?
O13 B9 Na2 79.6(4) . . ?
O13 B9 Cs1A 80.0(4) . 2 ?
O13 B9 O15 117.7(6) . . ?
O14 B9 Na1 66.9(4) . 2_565 ?
O14 B9 Na2 136.4(5) . . ?
O14 B9 Cs1A 77.8(4) . 2 ?
O14 B9 O13 121.9(6) . . ?
O14 B9 O15 120.3(6) . . ?
O15 B9 Na1 171.8(5) . 2_565 ?
O15 B9 Na2 52.0(3) . . ?
O15 B9 Cs1A 117.3(4) . 2 ?
O16 B10 O15 119.1(6) . . ?
O16 B10 O17 126.1(6) . . ?
O17 B10 O15 114.8(6) . . ?
Na1 O1 Na2 69.78(14) 2_675 2_665 ?
Na3 O1 Na1 97.1(2) 2_574 2_675 ?
Na3 O1 Na2 148.8(2) 2_574 2_665 ?
B1 O1 Na1 126.0(4) . 2_675 ?
B1 O1 Na2 73.9(3) . 2_665 ?
B1 O1 Na3 93.9(4) . 2_574 ?
B1 O1 B4 119.2(5) . 1_565 ?
B4 O1 Na1 94.7(3) 1_565 2_675 ?
B4 O1 Na2 83.2(3) 1_565 2_665 ?
B4 O1 Na3 127.1(4) 1_565 2_574 ?
Na2 O2 Na3 80.9(2) 1_665 2_574 ?
Na2 O2 Cs1B 118.85(18) 1_665 1_575 ?
Na3 O2 Cs1B 59.13(18) 2_574 1_575 ?
B1 O2 Na2 141.7(4) . 1_665 ?
B1 O2 Na3 87.4(4) . 2_574 ?
B1 O2 Cs1B 84.3(4) . 1_575 ?
B1 O2 B3 119.7(5) . 2_564 ?
B3 O2 Na2 90.8(4) 2_564 1_665 ?
B3 O2 Na3 140.5(4) 2_564 2_574 ?
B3 O2 Cs1B 93.2(3) 2_564 1_575 ?
B1 O3 Na2 100.1(4) . 2_665 ?
B1 O3 B2 119.9(5) . . ?
B2 O3 Na2 120.4(4) . 2_665 ?
Na3 O4 Cs1A 117.2(2) 2_564 1_565 ?
Na3 O4 Cs1B 69.2(2) 2_564 1_565 ?
Cs1B O4 Cs1A 48.01(13) 1_565 1_565 ?
B2 O4 Na3 120.9(4) . 2_564 ?
B2 O4 Cs1A 98.3(4) . 1_565 ?
B2 O4 Cs1B 124.4(4) . 1_565 ?
B2 O4 B3 124.0(6) . 2_564 ?
B3 O4 Na3 96.6(4) 2_564 2_564 ?
B3 O4 Cs1A 99.1(4) 2_564 1_565 ?
B3 O4 Cs1B 106.3(4) 2_564 1_565 ?
Na1 O5 Cs1B 148.04(18) 2_665 2 ?
Na3 O5 Na1 92.0(2) . 2_665 ?
Na3 O5 Cs1B 59.1(2) . 2 ?
B2 O5 Na1 102.8(4) . 2_665 ?
B2 O5 Na3 132.5(4) . . ?
B2 O5 Cs1B 107.0(4) . 2 ?
B2 O5 B4 129.5(5) . . ?
B4 O5 Na1 77.4(4) . 2_665 ?
B4 O5 Na3 97.6(4) . . ?
B4 O5 Cs1B 92.2(4) . 2 ?
Cs1A O6 Cs1B 75.51(12) 1_565 2 ?
Cs1B O6 Cs1A 45.62(12) 1_565 1_565 ?
Cs1B O6 Cs1B 121.06(19) 1_565 2 ?
B4 O6 Cs1A 120.2(4) . 1_565 ?
B4 O6 Cs1B 94.3(4) . 2 ?
B4 O6 Cs1B 115.0(4) . 1_565 ?
B5 O6 Cs1A 115.8(4) . 1_565 ?
B5 O6 Cs1B 118.3(4) . 1_565 ?
B5 O6 Cs1B 80.3(4) . 2 ?
B5 O6 B4 120.2(5) . . ?
Na2 O7 Na3 136.0(2) 2_655 . ?
B3 O7 Na2 97.3(4) . 2_655 ?
B3 O7 Na3 94.6(4) . . ?
B3 O7 B4 124.4(5) . . ?
B4 O7 Na2 113.9(4) . 2_655 ?
B4 O7 Na3 92.9(4) . . ?
Cs1A O8 Cs1B 45.49(11) 2 2 ?
Cs1B O8 Cs1A 94.25(15) 2_545 2 ?
Cs1B O8 Cs1B 139.2(2) 2_545 2 ?
B3 O8 Cs1A 110.6(4) . 2 ?
B3 O8 Cs1B 119.9(4) . 2_545 ?
B3 O8 Cs1B 87.0(4) . 2 ?
B5 O8 Cs1A 100.2(4) . 2 ?
B5 O8 Cs1B 80.1(4) . 2 ?
B5 O8 Cs1B 106.3(4) . 2_545 ?
B5 O8 B3 120.6(5) . . ?
Cs1A O9 Cs1B 81.71(13) . 2_545 ?
B5 O9 Cs1A 131.2(4) . . ?
B5 O9 Cs1B 89.7(4) . 2_545 ?
B6 O9 Cs1A 91.8(4) . . ?
B6 O9 Cs1B 131.5(4) . 2_545 ?
B6 O9 B5 127.1(5) . . ?
Cs1A O10 Cs1B 92.79(15) . 1_565 ?
B6 O10 Cs1A 103.5(4) . . ?
B6 O10 Cs1B 95.7(4) . 1_565 ?
B6 O10 B8 120.5(5) . . ?
B8 O10 Cs1A 124.6(4) . . ?
B8 O10 Cs1B 112.9(4) . 1_565 ?
Cs1A O11 Cs1A 119.26(13) 2 1_565 ?
Cs1A O11 Cs1B 74.82(12) 1_565 2 ?
Cs1A O11 Cs1B 44.56(9) 2 2 ?
B6 O11 Cs1A 117.1(4) . 2 ?
B6 O11 Cs1A 81.5(4) . 1_565 ?
B6 O11 Cs1B 115.7(4) . 2 ?
B6 O11 B7 120.1(5) . . ?
B7 O11 Cs1A 115.0(4) . 2 ?
B7 O11 Cs1A 97.5(4) . 1_565 ?
B7 O11 Cs1B 121.6(4) . 2 ?
Na2 O12 Na1 125.3(2) . . ?
B7 O12 Na1 98.7(4) . . ?
B7 O12 Na2 114.6(4) . . ?
B8 O12 Na1 97.9(4) . . ?
B8 O12 Na2 97.6(4) . . ?
B8 O12 B7 123.9(5) . . ?
Na1 O13 Na2 138.9(2) 2_565 . ?
Na1 O13 Na3 85.64(17) 2_565 2_464 ?
Na3 O13 Na2 65.74(14) 2_464 . ?
B7 O13 Na1 133.4(4) . 2_565 ?
B7 O13 Na2 82.3(3) . . ?
B7 O13 Na3 99.5(4) . 2_464 ?
B9 O13 Na1 97.1(4) . 2_565 ?
B9 O13 Na2 73.6(3) . . ?
B9 O13 Na3 117.8(4) . 2_464 ?
B9 O13 B7 119.6(5) . . ?
Na2 O14 Na1 76.14(16) 2 2_565 ?
B8 O14 Na1 146.0(4) 2 2_565 ?
B8 O14 Na2 90.5(3) 2 2 ?
B9 O14 Na1 85.7(4) . 2_565 ?
B9 O14 Na2 144.6(4) . 2 ?
B9 O14 B8 119.7(5) . 2 ?
B9 O15 Na2 100.0(4) . . ?
B9 O15 B10 119.7(5) . . ?
B10 O15 Na2 118.6(4) . . ?
Na1 O16 Cs1A 80.86(14) 2 2_545 ?
Na1 O16 Cs1B 125.93(19) 2 2_545 ?
Cs1A O16 Cs1B 45.11(9) 2_545 2_545 ?
B8 O16 Na1 95.4(4) 2 2 ?
B8 O16 Cs1A 104.2(3) 2 2_545 ?
B8 O16 Cs1B 96.2(4) 2 2_545 ?
B10 O16 Na1 119.5(4) . 2 ?
B10 O16 Cs1A 122.4(4) . 2_545 ?
B10 O16 Cs1B 96.0(4) . 2_545 ?
B10 O16 B8 124.0(5) . 2 ?
Na1 O17 Cs1A 73.02(13) 1_545 . ?
B7 O17 Na1 96.0(4) 1_545 1_545 ?
B7 O17 Cs1A 94.1(4) 1_545 . ?
B10 O17 Na1 134.7(4) . 1_545 ?
B10 O17 Cs1A 108.7(4) . . ?
B10 O17 B7 128.1(6) . 1_545 ?

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
Na1 B4 O5 Na3 -90.3(2) 2_665 . . . ?
Na1 B4 O5 Cs1B -149.46(17) 2_665 . . 2 ?
Na1 B4 O5 B2 96.3(6) 2_665 . . . ?
Na1 B4 O6 Cs1A -79.5(15) 2_665 . . 1_565 ?
Na1 B4 O6 Cs1B -155.2(14) 2_665 . . 2 ?
Na1 B4 O6 Cs1B -27.9(16) 2_665 . . 1_565 ?
Na1 B4 O6 B5 123.5(14) 2_665 . . . ?
Na1 B4 O7 Na2 -58.5(3) 2_665 . . 2_655 ?
Na1 B4 O7 Na3 85.7(2) 2_665 . . . ?
Na1 B4 O7 B3 -176.6(5) 2_665 . . . ?
Na1 B7 O11 Cs1A 13.8(4) . . . 1_565 ?
Na1 B7 O11 Cs1A 141.0(3) . . . 2 ?
Na1 B7 O11 Cs1B 90.5(5) . . . 2 ?
Na1 B7 O11 B6 -70.7(7) . . . . ?
Na1 B7 O12 Na2 -135.5(4) . . . . ?
Na1 B7 O12 B8 105.6(6) . . . . ?
Na1 B7 O13 Na1 -90.0(6) . . . 2_565 ?
Na1 B7 O13 Na2 66.7(4) . . . . ?
Na1 B7 O13 Na3 3.0(5) . . . 2_464 ?
Na1 B7 O13 B9 132.8(5) . . . . ?
Na1 B8 O10 Cs1A -170.3(3) . . . . ?
Na1 B8 O10 Cs1B -59.5(6) . . . 1_565 ?
Na1 B8 O10 B6 52.4(8) . . . . ?
Na1 B8 O12 Na2 127.4(3) . . . . ?
Na1 B8 O12 B7 -106.1(6) . . . . ?
Na1 B9 O13 Na2 -139.0(2) 2_565 . . . ?
Na1 B9 O13 Na3 -88.8(3) 2_565 . . 2_464 ?
Na1 B9 O13 B7 150.2(6) 2_565 . . . ?
Na1 B9 O14 Na2 58.7(6) 2_565 . . 2 ?
Na1 B9 O14 B8 -156.2(5) 2_565 . . 2 ?
Na2 B1 O1 Na1 49.1(4) 2_665 . . 2_675 ?
Na2 B1 O1 Na3 150.8(2) 2_665 . . 2_574 ?
Na2 B1 O1 B4 -72.4(5) 2_665 . . 1_565 ?
Na2 B1 O2 Na2 -47.1(11) 2_665 . . 1_665 ?
Na2 B1 O2 Na3 -118.9(6) 2_665 . . 2_574 ?
Na2 B1 O2 Cs1B -178.1(6) 2_665 . . 1_575 ?
Na2 B1 O2 B3 91.4(8) 2_665 . . 2_564 ?
Na2 B1 O3 B2 -134.0(6) 2_665 . . . ?
Na2 B3 O7 Na3 -137.6(3) 2_655 . . . ?
Na2 B3 O7 B4 125.6(6) 2_655 . . . ?
Na2 B3 O8 Cs1A 177.9(2) 2_655 . . 2 ?
Na2 B3 O8 Cs1B 69.9(5) 2_655 . . 2_545 ?
Na2 B3 O8 Cs1B -142.4(3) 2_655 . . 2 ?
Na2 B3 O8 B5 -65.8(7) 2_655 . . . ?
Na2 B7 O11 Cs1A -113.8(3) . . . 2 ?
Na2 B7 O11 Cs1A 119.0(3) . . . 1_565 ?
Na2 B7 O11 Cs1B -164.3(2) . . . 2 ?
Na2 B7 O11 B6 34.5(7) . . . . ?
Na2 B7 O12 Na1 135.5(4) . . . . ?
Na2 B7 O12 B8 -118.8(6) . . . . ?
Na2 B7 O13 Na1 -156.7(5) . . . 2_565 ?
Na2 B7 O13 Na3 -63.68(17) . . . 2_464 ?
Na2 B7 O13 B9 66.1(5) . . . . ?
Na2 B8 O10 Cs1A 69.2(5) . . . . ?
Na2 B8 O10 Cs1B 180.0(2) . . . 1_565 ?
Na2 B8 O10 B6 -68.1(7) . . . . ?
Na2 B8 O12 Na1 -127.4(3) . . . . ?
Na2 B8 O12 B7 126.5(6) . . . . ?
Na2 B9 O13 Na1 139.0(2) . . . 2_565 ?
Na2 B9 O13 Na3 50.2(3) . . . 2_464 ?
Na2 B9 O13 B7 -70.8(5) . . . . ?
Na2 B9 O14 Na1 -110.4(6) . . . 2_565 ?
Na2 B9 O14 Na2 -51.7(11) . . . 2 ?
Na2 B9 O14 B8 93.5(8) . . . 2 ?
Na2 B9 O15 B10 -131.4(6) . . . . ?
Na3 B1 O1 Na1 -101.6(4) 2_574 . . 2_675 ?
Na3 B1 O1 Na2 -150.8(2) 2_574 . . 2_665 ?
Na3 B1 O1 B4 136.9(5) 2_574 . . 1_565 ?
Na3 B1 O2 Na2 71.8(6) 2_574 . . 1_665 ?
Na3 B1 O2 Cs1B -59.23(18) 2_574 . . 1_575 ?
Na3 B1 O2 B3 -149.7(5) 2_574 . . 2_564 ?
Na3 B3 O7 Na2 137.6(3) . . . 2_655 ?
Na3 B3 O7 B4 -96.8(6) . . . . ?
Na3 B3 O8 Cs1A -59.5(5) . . . 2 ?
Na3 B3 O8 Cs1B -167.4(3) . . . 2_545 ?
Na3 B3 O8 Cs1B -19.8(4) . . . 2 ?
Na3 B3 O8 B5 56.8(7) . . . . ?
Na3 B4 O5 Na1 90.3(2) . . . 2_665 ?
Na3 B4 O5 Cs1B -59.1(2) . . . 2 ?
Na3 B4 O5 B2 -173.4(8) . . . . ?
Na3 B4 O6 Cs1A 84.1(4) . . . 1_565 ?
Na3 B4 O6 Cs1B 135.6(3) . . . 1_565 ?
Na3 B4 O6 Cs1B 8.3(4) . . . 2 ?
Na3 B4 O6 B5 -73.0(6) . . . . ?
Na3 B4 O7 Na2 -144.2(4) . . . 2_655 ?
Na3 B4 O7 B3 97.7(6) . . . . ?
Cs1A B2 O3 Na2 153.2(2) 1_565 . . 2_665 ?
Cs1A B2 O3 B1 -81.9(6) 1_565 . . . ?
Cs1A B2 O4 Na3 -128.7(5) 1_565 . . 2_564 ?
Cs1A B2 O4 Cs1B -44.0(3) 1_565 . . 1_565 ?
Cs1A B2 O4 B3 106.9(6) 1_565 . . 2_564 ?
Cs1A B2 O5 Na1 143.26(18) 1_565 . . 2_665 ?
Cs1A B2 O5 Na3 -111.9(5) 1_565 . . . ?
Cs1A B2 O5 Cs1B -48.6(3) 1_565 . . 2 ?
Cs1A B2 O5 B4 59.1(7) 1_565 . . . ?
Cs1A B3 O7 Na2 -164.1(3) 2 . . 2_655 ?
Cs1A B3 O7 Na3 58.3(5) 2 . . . ?
Cs1A B3 O7 B4 -38.5(8) 2 . . . ?
Cs1A B3 O8 Cs1B -107.9(4) 2 . . 2_545 ?
Cs1A B3 O8 Cs1B 39.69(18) 2 . . 2 ?
Cs1A B3 O8 B5 116.3(6) 2 . . . ?
Cs1A B5 O6 Cs1A -66.1(5) 2 . . 1_565 ?
Cs1A B5 O6 Cs1B -117.6(4) 2 . . 1_565 ?
Cs1A B5 O6 Cs1B 2.5(3) 2 . . 2 ?
Cs1A B5 O6 B4 91.9(6) 2 . . . ?
Cs1A B5 O8 Cs1B -41.00(18) 2 . . 2 ?
Cs1A B5 O8 Cs1B 97.5(2) 2 . . 2_545 ?
Cs1A B5 O8 B3 -121.5(6) 2 . . . ?
Cs1A B5 O9 Cs1A -155.3(4) 2 . . . ?
Cs1A B5 O9 Cs1B -76.60(16) 2 . . 2_545 ?
Cs1A B5 O9 B6 69.2(7) 2 . . . ?
Cs1A B6 O9 Cs1A -114.4(3) 1_565 . . . ?
Cs1A B6 O9 Cs1B 165.1(3) 1_565 . . 2_545 ?
Cs1A B6 O9 Cs1B -80.5(4) . . . 2_545 ?
Cs1A B6 O9 B5 33.7(9) 1_565 . . . ?
Cs1A B6 O9 B5 148.1(8) . . . . ?
Cs1A B6 O10 Cs1A 134.61(17) 1_565 . . . ?
Cs1A B6 O10 Cs1B -94.3(2) . . . 1_565 ?
Cs1A B6 O10 Cs1B 40.35(17) 1_565 . . 1_565 ?
Cs1A B6 O10 B8 -80.4(5) 1_565 . . . ?
Cs1A B6 O10 B8 144.9(6) . . . . ?
Cs1A B6 O11 Cs1A -118.6(3) 1_565 . . 2 ?
Cs1A B6 O11 Cs1A 89.4(13) . . . 2 ?
Cs1A B6 O11 Cs1A -152.0(13) . . . 1_565 ?
Cs1A B6 O11 Cs1B -68.5(3) 1_565 . . 2 ?
Cs1A B6 O11 Cs1B 139.4(12) . . . 2 ?
Cs1A B6 O11 B7 93.7(5) 1_565 . . . ?
Cs1A B6 O11 B7 -58.3(15) . . . . ?
Cs1A B9 O13 Na1 -68.70(17) 2 . . 2_565 ?
Cs1A B9 O13 Na2 152.29(17) 2 . . . ?
Cs1A B9 O13 Na3 -157.5(3) 2 . . 2_464 ?
Cs1A B9 O13 B7 81.5(5) 2 . . . ?
Cs1A B9 O14 Na1 69.84(11) 2 . . 2_565 ?
Cs1A B9 O14 Na2 128.5(7) 2 . . 2 ?
Cs1A B9 O14 B8 -86.3(5) 2 . . 2 ?
Cs1A B9 O15 Na2 -141.0(3) 2 . . . ?
Cs1A B9 O15 B10 87.6(6) 2 . . . ?
Cs1B B1 O1 Na1 -158.1(4) 1_575 . . 2_675 ?
Cs1B B1 O1 Na2 152.83(18) 1_575 . . 2_665 ?
Cs1B B1 O1 Na3 -56.4(2) 1_575 . . 2_574 ?
Cs1B B1 O1 B4 80.4(5) 1_575 . . 1_565 ?
Cs1B B1 O2 Na2 131.0(6) 1_575 . . 1_665 ?
Cs1B B1 O2 Na3 59.23(18) 1_575 . . 2_574 ?
Cs1B B1 O2 B3 -90.5(5) 1_575 . . 2_564 ?
Cs1B B1 O3 Na2 -139.8(3) 1_575 . . 2_665 ?
Cs1B B1 O3 B2 86.2(6) 1_575 . . . ?
Cs1B B3 O7 Na2 -178.53(18) 2 . . 2_655 ?
Cs1B B3 O7 Na3 43.9(2) 2 . . . ?
Cs1B B3 O7 B4 -52.9(6) 2 . . . ?
Cs1B B3 O8 Cs1A -39.69(18) 2 . . 2 ?
Cs1B B3 O8 Cs1B -147.6(3) 2 . . 2_545 ?
Cs1B B3 O8 B5 76.6(5) 2 . . . ?
Cs1B B5 O6 Cs1A -68.7(3) 2 . . 1_565 ?
Cs1B B5 O6 Cs1A 147.5(10) 2_545 . . 1_565 ?
Cs1B B5 O6 Cs1B 96.0(12) 2_545 . . 1_565 ?
Cs1B B5 O6 Cs1B -143.9(12) 2_545 . . 2 ?
Cs1B B5 O6 Cs1B -120.2(3) 2 . . 1_565 ?
Cs1B B5 O6 B4 89.3(5) 2 . . . ?
Cs1B B5 O6 B4 -54.5(14) 2_545 . . . ?
Cs1B B5 O8 Cs1A 41.00(18) 2 . . 2 ?
Cs1B B5 O8 Cs1A -97.5(2) 2_545 . . 2 ?
Cs1B B5 O8 Cs1B 138.5(3) 2 . . 2_545 ?
Cs1B B5 O8 Cs1B -138.5(3) 2_545 . . 2 ?
Cs1B B5 O8 B3 -80.5(5) 2 . . . ?
Cs1B B5 O8 B3 140.9(6) 2_545 . . . ?
Cs1B B5 O9 Cs1A 168.4(2) 2 . . . ?
Cs1B B5 O9 Cs1A -78.7(4) 2_545 . . . ?
Cs1B B5 O9 Cs1B -112.9(3) 2 . . 2_545 ?
Cs1B B5 O9 B6 145.8(8) 2_545 . . . ?
Cs1B B5 O9 B6 32.9(9) 2 . . . ?
Cs1B B6 O9 Cs1A -78.64(16) 1_565 . . . ?
Cs1B B6 O9 Cs1B -159.2(4) 1_565 . . 2_545 ?
Cs1B B6 O9 B5 69.5(7) 1_565 . . . ?
Cs1B B6 O10 Cs1A 94.3(2) 1_565 . . . ?
Cs1B B6 O10 B8 -120.8(6) 1_565 . . . ?
Cs1B B6 O11 Cs1A 3.5(3) 1_565 . . 1_565 ?
Cs1B B6 O11 Cs1A -115.1(4) 1_565 . . 2 ?
Cs1B B6 O11 Cs1B -65.0(5) 1_565 . . 2 ?
Cs1B B6 O11 B7 97.2(6) 1_565 . . . ?
O1 B1 O2 Na2 63.0(9) . . . 1_665 ?
O1 B1 O2 Na3 -8.7(6) . . . 2_574 ?
O1 B1 O2 Cs1B -68.0(6) . . . 1_575 ?
O1 B1 O2 B3 -158.4(6) . . . 2_564 ?
O1 B1 O3 Na2 -46.0(6) . . . 2_665 ?
O1 B1 O3 B2 -180.0(6) . . . . ?
O1 B4 O5 Na1 -44.6(4) 1_545 . . 2_665 ?
O1 B4 O5 Na3 -134.9(4) 1_545 . . . ?
O1 B4 O5 Cs1B 166.0(4) 1_545 . . 2 ?
O1 B4 O5 B2 51.7(8) 1_545 . . . ?
O1 B4 O6 Cs1A -91.3(5) 1_545 . . 1_565 ?
O1 B4 O6 Cs1B -39.7(6) 1_545 . . 1_565 ?
O1 B4 O6 Cs1B -167.0(4) 1_545 . . 2 ?
O1 B4 O6 B5 111.7(6) 1_545 . . . ?
O1 B4 O7 Na2 -11.6(6) 1_545 . . 2_655 ?
O1 B4 O7 Na3 132.5(5) 1_545 . . . ?
O1 B4 O7 B3 -129.8(6) 1_545 . . . ?
O2 B1 O1 Na1 -92.3(6) . . . 2_675 ?
O2 B1 O1 Na2 -141.4(6) . . . 2_665 ?
O2 B1 O1 Na3 9.3(6) . . . 2_574 ?
O2 B1 O1 B4 146.2(6) . . . 1_565 ?
O2 B1 O3 Na2 130.7(5) . . . 2_665 ?
O2 B1 O3 B2 -3.3(9) . . . . ?
O2 B3 O7 Na2 11.3(5) 2_565 . . 2_655 ?
O2 B3 O7 Na3 -126.3(4) 2_565 . . . ?
O2 B3 O7 B4 137.0(6) 2_565 . . . ?
O2 B3 O8 Cs1A 116.2(4) 2_565 . . 2 ?
O2 B3 O8 Cs1B 155.9(4) 2_565 . . 2 ?
O2 B3 O8 Cs1B 8.2(6) 2_565 . . 2_545 ?
O2 B3 O8 B5 -127.5(6) 2_565 . . . ?
O3 B1 O1 Na1 84.4(7) . . . 2_675 ?
O3 B1 O1 Na2 35.3(5) . . . 2_665 ?
O3 B1 O1 Na3 -173.9(6) . . . 2_574 ?
O3 B1 O1 B4 -37.1(8) . . . 1_565 ?
O3 B1 O2 Na2 -113.7(7) . . . 1_665 ?
O3 B1 O2 Na3 174.6(6) . . . 2_574 ?
O3 B1 O2 Cs1B 115.3(6) . . . 1_575 ?
O3 B1 O2 B3 24.9(9) . . . 2_564 ?
O3 B2 O4 Na3 135.8(5) . . . 2_564 ?
O3 B2 O4 Cs1A -95.5(6) . . . 1_565 ?
O3 B2 O4 Cs1B -139.4(5) . . . 1_565 ?
O3 B2 O4 B3 11.4(10) . . . 2_564 ?
O3 B2 O5 Na1 -99.1(5) . . . 2_665 ?
O3 B2 O5 Na3 5.7(9) . . . . ?
O3 B2 O5 Cs1B 69.1(6) . . . 2 ?
O3 B2 O5 B4 176.8(6) . . . . ?
O4 B2 O3 Na2 -139.9(5) . . . 2_665 ?
O4 B2 O3 B1 -15.1(9) . . . . ?
O4 B2 O5 Na1 78.3(7) . . . 2_665 ?
O4 B2 O5 Na3 -176.9(5) . . . . ?
O4 B2 O5 Cs1B -113.6(7) . . . 2 ?
O4 B2 O5 B4 -5.9(11) . . . . ?
O4 B3 O7 Na2 131.0(4) 2_565 . . 2_655 ?
O4 B3 O7 Na3 -6.6(5) 2_565 . . . ?
O4 B3 O7 B4 -103.4(6) 2_565 . . . ?
O4 B3 O8 Cs1A -2.1(6) 2_565 . . 2 ?
O4 B3 O8 Cs1B -110.1(5) 2_565 . . 2_545 ?
O4 B3 O8 Cs1B 37.6(5) 2_565 . . 2 ?
O4 B3 O8 B5 114.2(6) 2_565 . . . ?
O5 B2 O3 Na2 37.7(7) . . . 2_665 ?
O5 B2 O3 B1 162.5(6) . . . . ?
O5 B2 O4 Na3 -41.5(9) . . . 2_564 ?
O5 B2 O4 Cs1A 87.3(7) . . . 1_565 ?
O5 B2 O4 Cs1B 43.3(9) . . . 1_565 ?
O5 B2 O4 B3 -165.9(6) . . . 2_564 ?
O5 B4 O6 Cs1A 26.5(7) . . . 1_565 ?
O5 B4 O6 Cs1B 78.1(5) . . . 1_565 ?
O5 B4 O6 Cs1B -49.2(5) . . . 2 ?
O5 B4 O6 B5 -130.5(6) . . . . ?
O5 B4 O7 Na2 -127.9(4) . . . 2_655 ?
O5 B4 O7 Na3 16.3(5) . . . . ?
O5 B4 O7 B3 113.9(6) . . . . ?
O6 B4 O5 Na1 -162.4(5) . . . 2_665 ?
O6 B4 O5 Na3 107.3(5) . . . . ?
O6 B4 O5 Cs1B 48.2(5) . . . 2 ?
O6 B4 O5 B2 -66.1(8) . . . . ?
O6 B4 O7 Na2 108.5(5) . . . 2_655 ?
O6 B4 O7 Na3 -107.3(5) . . . . ?
O6 B4 O7 B3 -9.6(8) . . . . ?
O6 B5 O8 Cs1A 109.4(6) . . . 2 ?
O6 B5 O8 Cs1B -153.0(6) . . . 2_545 ?
O6 B5 O8 Cs1B 68.4(6) . . . 2 ?
O6 B5 O8 B3 -12.1(10) . . . . ?
O6 B5 O9 Cs1A 78.2(8) . . . . ?
O6 B5 O9 Cs1B 156.9(6) . . . 2_545 ?
O6 B5 O9 B6 -57.3(10) . . . . ?
O7 B3 O8 Cs1A -123.0(5) . . . 2 ?
O7 B3 O8 Cs1B 129.0(5) . . . 2_545 ?
O7 B3 O8 Cs1B -83.3(5) . . . 2 ?
O7 B3 O8 B5 -6.7(9) . . . . ?
O7 B4 O5 Na1 73.0(4) . . . 2_665 ?
O7 B4 O5 Na3 -17.3(5) . . . . ?
O7 B4 O5 Cs1B -76.4(5) . . . 2 ?
O7 B4 O5 B2 169.3(6) . . . . ?
O7 B4 O6 Cs1A 147.5(4) . . . 1_565 ?
O7 B4 O6 Cs1B -160.9(4) . . . 1_565 ?
O7 B4 O6 Cs1B 71.8(5) . . . 2 ?
O7 B4 O6 B5 -9.5(8) . . . . ?
O8 B3 O7 Na2 -108.2(5) . . . 2_655 ?
O8 B3 O7 Na3 114.2(5) . . . . ?
O8 B3 O7 B4 17.4(9) . . . . ?
O8 B5 O6 Cs1A -137.1(6) . . . 1_565 ?
O8 B5 O6 Cs1B 171.3(5) . . . 1_565 ?
O8 B5 O6 Cs1B -68.5(6) . . . 2 ?
O8 B5 O6 B4 20.8(10) . . . . ?
O8 B5 O9 Cs1A -101.7(7) . . . . ?
O8 B5 O9 Cs1B -23.0(6) . . . 2_545 ?
O8 B5 O9 B6 122.8(8) . . . . ?
O9 B5 O6 Cs1A 43.0(7) . . . 1_565 ?
O9 B5 O6 Cs1B 111.6(6) . . . 2 ?
O9 B5 O6 Cs1B -8.6(8) . . . 1_565 ?
O9 B5 O6 B4 -159.0(6) . . . . ?
O9 B5 O8 Cs1A -70.7(6) . . . 2 ?
O9 B5 O8 Cs1B -111.7(6) . . . 2 ?
O9 B5 O8 Cs1B 26.9(7) . . . 2_545 ?
O9 B5 O8 B3 167.8(6) . . . . ?
O9 B6 O10 Cs1A 24.2(7) . . . . ?
O9 B6 O10 Cs1B -70.1(6) . . . 1_565 ?
O9 B6 O10 B8 169.2(6) . . . . ?
O9 B6 O11 Cs1A 108.0(6) . . . 1_565 ?
O9 B6 O11 Cs1A -10.6(8) . . . 2 ?
O9 B6 O11 Cs1B 39.5(8) . . . 2 ?
O9 B6 O11 B7 -158.3(6) . . . . ?
O10 B6 O9 Cs1A -21.7(6) . . . . ?
O10 B6 O9 Cs1B -102.2(7) . . . 2_545 ?
O10 B6 O9 B5 126.4(7) . . . . ?
O10 B6 O11 Cs1A 169.3(5) . . . 2 ?
O10 B6 O11 Cs1A -72.1(6) . . . 1_565 ?
O10 B6 O11 Cs1B -140.6(6) . . . 2 ?
O10 B6 O11 B7 21.7(10) . . . . ?
O10 B8 O12 Na1 125.4(5) . . . . ?
O10 B8 O12 Na2 -107.2(5) . . . . ?
O10 B8 O12 B7 19.3(8) . . . . ?
O11 B6 O9 Cs1A 158.2(6) . . . . ?
O11 B6 O9 Cs1B 77.7(8) . . . 2_545 ?
O11 B6 O9 B5 -53.6(11) . . . . ?
O11 B6 O10 Cs1A -155.7(6) . . . . ?
O11 B6 O10 Cs1B 110.0(7) . . . 1_565 ?
O11 B6 O10 B8 -10.8(10) . . . . ?
O11 B7 O12 Na1 -115.2(5) . . . . ?
O11 B7 O12 Na2 109.3(5) . . . . ?
O11 B7 O12 B8 -9.6(9) . . . . ?
O11 B7 O13 Na1 87.4(6) . . . 2_565 ?
O11 B7 O13 Na2 -115.9(5) . . . . ?
O11 B7 O13 Na3 -179.6(4) . . . 2_464 ?
O11 B7 O13 B9 -49.8(7) . . . . ?
O12 B7 O11 Cs1A -159.3(4) . . . 2 ?
O12 B7 O11 Cs1A 73.4(5) . . . 1_565 ?
O12 B7 O11 Cs1B 150.2(4) . . . 2 ?
O12 B7 O11 B6 -11.0(9) . . . . ?
O12 B7 O13 Na1 -147.7(4) . . . 2_565 ?
O12 B7 O13 Na2 9.1(5) . . . . ?
O12 B7 O13 Na3 -54.6(5) . . . 2_464 ?
O12 B7 O13 B9 75.2(7) . . . . ?
O12 B8 O10 Cs1A 128.0(4) . . . . ?
O12 B8 O10 Cs1B -121.2(5) . . . 1_565 ?
O12 B8 O10 B6 -9.3(8) . . . . ?
O13 B7 O11 Cs1A -36.6(6) . . . 2 ?
O13 B7 O11 Cs1A -163.8(4) . . . 1_565 ?
O13 B7 O11 Cs1B -87.1(5) . . . 2 ?
O13 B7 O11 B6 111.8(6) . . . . ?
O13 B7 O12 Na1 122.5(5) . . . . ?
O13 B7 O12 Na2 -13.1(6) . . . . ?
O13 B7 O12 B8 -131.9(6) . . . . ?
O13 B9 O14 Na1 -0.1(6) . . . 2_565 ?
O13 B9 O14 Na2 58.6(10) . . . 2 ?
O13 B9 O14 B8 -156.3(6) . . . 2 ?
O13 B9 O15 Na2 -48.1(6) . . . . ?
O13 B9 O15 B10 -179.5(6) . . . . ?
O14 B8 O10 Cs1A 7.7(6) 2_554 . . . ?
O14 B8 O10 Cs1B 118.5(4) 2_554 . . 1_565 ?
O14 B8 O10 B6 -129.6(6) 2_554 . . . ?
O14 B8 O12 Na1 -115.8(4) 2_554 . . . ?
O14 B8 O12 Na2 11.6(5) 2_554 . . . ?
O14 B8 O12 B7 138.2(6) 2_554 . . . ?
O14 B9 O13 Na1 0.1(7) . . . 2_565 ?
O14 B9 O13 Na2 -138.9(7) . . . . ?
O14 B9 O13 Na3 -88.7(7) . . . 2_464 ?
O14 B9 O13 B7 150.3(6) . . . . ?
O14 B9 O15 Na2 127.5(6) . . . . ?
O14 B9 O15 B10 -3.9(9) . . . . ?
O15 B9 O13 Na1 175.7(5) . . . 2_565 ?
O15 B9 O13 Na2 36.6(5) . . . . ?
O15 B9 O13 Na3 86.9(6) . . . 2_464 ?
O15 B9 O13 B7 -34.2(9) . . . . ?
O15 B9 O14 Na1 -175.5(6) . . . 2_565 ?
O15 B9 O14 Na2 -116.8(7) . . . 2 ?
O15 B9 O14 B8 28.3(9) . . . 2 ?
O15 B10 O16 Na1 126.8(6) . . . 2 ?
O15 B10 O16 Cs1A -135.0(5) . . . 2_545 ?
O15 B10 O16 Cs1B -95.7(6) . . . 2_545 ?
O15 B10 O16 B8 5.9(10) . . . 2 ?
O15 B10 O17 Na1 -17.3(10) . . . 1_545 ?
O15 B10 O17 Cs1A 67.0(6) . . . . ?
O15 B10 O17 B7 178.2(6) . . . 1_545 ?
O16 B8 O10 Cs1A -110.3(5) 2_554 . . . ?
O16 B8 O10 Cs1B 0.5(6) 2_554 . . 1_565 ?
O16 B8 O10 B6 112.5(6) 2_554 . . . ?
O16 B8 O12 Na1 2.2(5) 2_554 . . . ?
O16 B8 O12 Na2 129.6(4) 2_554 . . . ?
O16 B8 O12 B7 -103.9(6) 2_554 . . . ?
O16 B10 O15 Na2 -136.1(5) . . . . ?
O16 B10 O15 B9 -13.5(10) . . . . ?
O16 B10 O17 Na1 161.0(5) . . . 1_545 ?
O16 B10 O17 Cs1A -114.6(7) . . . . ?
O16 B10 O17 B7 -3.4(12) . . . 1_545 ?
O17 B7 O11 Cs1A -45.9(5) 1_565 . . 1_565 ?
O17 B7 O11 Cs1A 81.4(5) 1_565 . . 2 ?
O17 B7 O11 Cs1B 30.9(7) 1_565 . . 2 ?
O17 B7 O11 B6 -130.3(6) 1_565 . . . ?
O17 B7 O12 Na1 5.8(5) 1_565 . . . ?
O17 B7 O12 Na2 -129.7(4) 1_565 . . . ?
O17 B7 O12 B8 111.4(6) 1_565 . . . ?
O17 B7 O13 Na1 -31.7(8) 1_565 . . 2_565 ?
O17 B7 O13 Na2 125.0(5) 1_565 . . . ?
O17 B7 O13 Na3 61.3(5) 1_565 . . 2_464 ?
O17 B7 O13 B9 -168.9(5) 1_565 . . . ?
O17 B10 O15 Na2 42.4(8) . . . . ?
O17 B10 O15 B9 165.0(6) . . . . ?
O17 B10 O16 Na1 -51.5(9) . . . 2 ?
O17 B10 O16 Cs1A 46.7(9) . . . 2_545 ?
O17 B10 O16 Cs1B 86.0(7) . . . 2_545 ?
O17 B10 O16 B8 -172.4(7) . . . 2 ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.51326
2 0.48674

####################################################################### 
# 
# 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_0328
_database_code_depnum_ccdc_archive 'CCDC 2485110'
loop_
_audit_author_name
_audit_author_address
'Xiangcong Ma'
;Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2025-09-04 deposited with the CCDC.	2025-12-17 downloaded from the CCDC.
;
_audit_creation_date             2025-06-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B10 Cs2 K2 O17'
_chemical_formula_sum            'B10 Cs2 K2 O17'
_chemical_formula_weight         724.12
_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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.6033(9)
_cell_length_b                   6.5984(3)
_cell_length_c                   11.3033(5)
_cell_angle_alpha                90
_cell_angle_beta                 103.459(2)
_cell_angle_gamma                90
_cell_volume                     1639.54(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8458
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.22
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.045
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6091
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0832 before and 0.0647 after correction.
The Ratio of minimum to maximum transmission is 0.8169.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.934
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0928
_diffrn_reflns_av_unetI/netI     0.0870
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6054
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.502
_diffrn_reflns_theta_min         1.853
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_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         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1269
_reflns_number_total             1883
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.586
_refine_diff_density_min         -1.152
_refine_diff_density_rms         0.351
_refine_ls_extinction_coef       0.0011(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         1883
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0531
_refine_ls_restrained_S_all      1.071
_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)+(0.0885P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1325
_refine_ls_wR_factor_ref         0.1696
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O5) \\sim Ueq, Uanis(O6) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(B1) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O8) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
;
_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
K1 K 0.22876(9) 0.0825(3) 0.67427(18) 0.0171(5) Uani 1 1 d . . . . .
Cs1 Cs 0.44553(3) -0.30876(10) 0.90631(6) 0.0296(3) Uani 1 1 d . . . . .
B1 B 0.4492(4) 0.1746(15) 0.7663(9) 0.0099(19) Uani 1 1 d . U . . .
B2 B 0.3552(4) 0.3486(14) 0.6621(8) 0.0079(19) Uani 1 1 d . . . . .
B3 B 0.3644(4) 0.1838(15) 0.8723(9) 0.0097(18) Uani 1 1 d . . . . .
B4 B 0.3318(4) 1.0573(15) 0.5133(9) 0.0107(19) Uani 1 1 d . . . . .
B5 B 0.3499(4) 0.7081(14) 0.5733(9) 0.0109(19) Uani 1 1 d . . . . .
O1 O 0.3680(3) 0.6688(9) 0.4722(5) 0.0118(13) Uani 1 1 d . . . . .
O2 O 0.3344(3) 0.9079(10) 0.6002(6) 0.0155(14) Uani 1 1 d . U . . .
O3 O 0.4215(3) 0.3126(10) 0.6826(6) 0.0163(14) Uani 1 1 d . . . . .
O4 O 0.3310(3) 0.2682(8) 0.7602(5) 0.0074(12) Uani 1 1 d . . . . .
O5 O 0.3261(3) 1.2546(8) 0.5430(5) 0.0116(13) Uani 1 1 d . U . . .
O6 O 0.3354(3) 1.0082(9) 0.3997(5) 0.0117(13) Uani 1 1 d . U . . .
O7 O 0.3433(3) 0.5691(9) 0.6579(5) 0.0116(13) Uani 1 1 d . . . . .
O8 O 0.500000 0.0746(14) 0.750000 0.0156(19) Uani 1 2 d S TU P . .
O9 O 0.4281(3) 0.1294(9) 0.8667(5) 0.0130(13) 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
K1 B2 3.322(10) 4_546 ?
K1 B4 3.265(10) 7_566 ?
K1 B4 3.275(9) 1_545 ?
K1 O1 2.931(6) 7_556 ?
K1 O2 2.944(7) 1_545 ?
K1 O4 2.596(6) . ?
K1 O4 2.672(6) 4_546 ?
K1 O5 3.138(6) 1_545 ?
K1 O5 2.702(6) 7_566 ?
K1 O6 3.132(6) 6_566 ?
K1 O6 3.087(6) 7_566 ?
K1 O7 2.773(6) 4_546 ?
Cs1 B1 3.570(10) . ?
Cs1 B3 3.708(10) . ?
Cs1 B4 3.504(9) 6_566 ?
Cs1 O1 3.143(6) 6_556 ?
Cs1 O3 3.292(6) 6_556 ?
Cs1 O3 3.506(7) 1_545 ?
Cs1 O5 3.428(6) 6_566 ?
Cs1 O6 3.170(6) 6_566 ?
Cs1 O7 3.295(6) 1_545 ?
Cs1 O8 3.471(7) . ?
Cs1 O9 2.938(6) . ?
Cs1 O9 3.568(6) 5_657 ?
B1 O3 1.356(11) . ?
B1 O8 1.374(10) . ?
B1 O9 1.363(11) . ?
B2 O3 1.482(11) . ?
B2 O4 1.446(11) . ?
B2 O5 1.490(11) 1_545 ?
B2 O7 1.478(10) . ?
B3 O1 1.478(11) 6_566 ?
B3 O4 1.428(11) . ?
B3 O6 1.492(11) 6_566 ?
B3 O9 1.499(11) . ?
B4 O2 1.383(12) . ?
B4 O5 1.357(11) . ?
B4 O6 1.345(11) . ?
B5 O1 1.326(11) . ?
B5 O2 1.415(11) . ?
B5 O7 1.358(11) . ?

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
B4 K1 B2 149.0(2) 1_545 4_546 ?
B4 K1 B2 119.5(2) 7_566 4_546 ?
B4 K1 B4 85.5(3) 7_566 1_545 ?
O1 K1 B2 66.7(2) 7_556 4_546 ?
O1 K1 B4 101.0(2) 7_556 1_545 ?
O1 K1 B4 84.3(2) 7_556 7_566 ?
O1 K1 O2 99.55(18) 7_556 1_545 ?
O1 K1 O5 116.76(17) 7_556 1_545 ?
O1 K1 O6 133.12(17) 7_556 6_566 ?
O1 K1 O6 95.75(17) 7_556 7_566 ?
O2 K1 B2 125.7(2) 1_545 4_546 ?
O2 K1 B4 25.0(2) 1_545 1_545 ?
O2 K1 B4 110.2(2) 1_545 7_566 ?
O2 K1 O5 45.79(17) 1_545 1_545 ?
O2 K1 O6 68.56(17) 1_545 6_566 ?
O2 K1 O6 128.80(18) 1_545 7_566 ?
O4 K1 B2 25.0(2) 4_546 4_546 ?
O4 K1 B2 125.8(2) . 4_546 ?
O4 K1 B4 95.8(2) . 7_566 ?
O4 K1 B4 125.6(2) 4_546 7_566 ?
O4 K1 B4 125.8(2) 4_546 1_545 ?
O4 K1 B4 63.0(2) . 1_545 ?
O4 K1 O1 163.86(19) . 7_556 ?
O4 K1 O1 50.09(17) 4_546 7_556 ?
O4 K1 O2 65.20(18) . 1_545 ?
O4 K1 O2 105.72(19) 4_546 1_545 ?
O4 K1 O4 136.55(14) . 4_546 ?
O4 K1 O5 49.12(17) . 1_545 ?
O4 K1 O5 109.40(19) . 7_566 ?
O4 K1 O5 150.10(18) 4_546 1_545 ?
O4 K1 O5 113.96(19) 4_546 7_566 ?
O4 K1 O6 48.39(17) . 6_566 ?
O4 K1 O6 121.20(19) 4_546 7_566 ?
O4 K1 O6 90.57(18) . 7_566 ?
O4 K1 O6 88.24(17) 4_546 6_566 ?
O4 K1 O7 51.00(18) 4_546 4_546 ?
O4 K1 O7 111.85(19) . 4_546 ?
O5 K1 B2 170.2(2) 1_545 4_546 ?
O5 K1 B2 119.3(2) 7_566 4_546 ?
O5 K1 B4 24.3(2) 1_545 1_545 ?
O5 K1 B4 24.0(2) 7_566 7_566 ?
O5 K1 B4 70.3(2) 1_545 7_566 ?
O5 K1 B4 75.5(2) 7_566 1_545 ?
O5 K1 O1 65.65(17) 7_566 7_556 ?
O5 K1 O2 97.36(19) 7_566 1_545 ?
O5 K1 O5 69.5(2) 7_566 1_545 ?
O5 K1 O6 156.75(18) 7_566 6_566 ?
O5 K1 O6 47.06(16) 7_566 7_566 ?
O5 K1 O7 114.6(2) 7_566 4_546 ?
O6 K1 B2 83.66(19) 6_566 4_546 ?
O6 K1 B2 105.3(2) 7_566 4_546 ?
O6 K1 B4 104.1(2) 7_566 1_545 ?
O6 K1 B4 142.6(2) 6_566 7_566 ?
O6 K1 B4 24.2(2) 7_566 7_566 ?
O6 K1 B4 86.0(2) 6_566 1_545 ?
O6 K1 O5 83.82(17) 7_566 1_545 ?
O6 K1 O5 87.85(16) 6_566 1_545 ?
O6 K1 O6 127.73(19) 7_566 6_566 ?
O7 K1 B2 26.1(2) 4_546 4_546 ?
O7 K1 B4 169.9(2) 4_546 1_545 ?
O7 K1 B4 104.1(2) 4_546 7_566 ?
O7 K1 O1 83.61(17) 4_546 7_556 ?
O7 K1 O2 145.71(19) 4_546 1_545 ?
O7 K1 O5 157.30(18) 4_546 1_545 ?
O7 K1 O6 84.30(17) 4_546 6_566 ?
O7 K1 O6 84.25(18) 4_546 7_566 ?
B1 Cs1 B3 39.9(2) . . ?
B4 Cs1 B1 79.9(2) 6_566 . ?
B4 Cs1 B3 40.2(2) 6_566 . ?
B4 Cs1 O3 125.70(19) 6_566 1_545 ?
B4 Cs1 O9 97.13(19) 6_566 5_657 ?
O1 Cs1 B1 148.44(19) 6_556 . ?
O1 Cs1 B3 113.43(18) 6_556 . ?
O1 Cs1 B4 77.38(19) 6_556 6_566 ?
O1 Cs1 O3 62.95(15) 6_556 6_556 ?
O1 Cs1 O3 68.36(14) 6_556 1_545 ?
O1 Cs1 O5 55.30(14) 6_556 6_566 ?
O1 Cs1 O6 90.02(15) 6_556 6_566 ?
O1 Cs1 O7 72.40(15) 6_556 1_545 ?
O1 Cs1 O8 162.73(12) 6_556 . ?
O1 Cs1 O9 118.53(14) 6_556 5_657 ?
O3 Cs1 B1 109.42(19) 1_545 . ?
O3 Cs1 B1 116.96(19) 6_556 . ?
O3 Cs1 B3 85.32(18) 6_556 . ?
O3 Cs1 B3 124.06(18) 1_545 . ?
O3 Cs1 B4 51.7(2) 6_556 6_566 ?
O3 Cs1 O3 130.30(10) 6_556 1_545 ?
O3 Cs1 O5 41.60(15) 6_556 6_566 ?
O3 Cs1 O7 124.66(15) 6_556 1_545 ?
O3 Cs1 O8 130.15(15) 6_556 . ?
O3 Cs1 O9 135.92(14) 1_545 5_657 ?
O3 Cs1 O9 66.53(15) 6_556 5_657 ?
O5 Cs1 B1 102.03(18) 6_566 . ?
O5 Cs1 B3 62.14(17) 6_566 . ?
O5 Cs1 B4 22.55(19) 6_566 6_566 ?
O5 Cs1 O3 113.18(14) 6_566 1_545 ?
O5 Cs1 O8 124.28(14) 6_566 . ?
O5 Cs1 O9 102.97(14) 6_566 5_657 ?
O6 Cs1 B1 61.94(18) 6_566 . ?
O6 Cs1 B3 23.41(18) 6_566 . ?
O6 Cs1 B4 22.55(19) 6_566 6_566 ?
O6 Cs1 O3 74.05(15) 6_566 6_556 ?
O6 Cs1 O3 116.11(15) 6_566 1_545 ?
O6 Cs1 O5 41.29(14) 6_566 6_566 ?
O6 Cs1 O7 75.04(15) 6_566 1_545 ?
O6 Cs1 O8 84.35(13) 6_566 . ?
O6 Cs1 O9 107.60(14) 6_566 5_657 ?
O7 Cs1 B1 85.69(18) 1_545 . ?
O7 Cs1 B3 83.92(18) 1_545 . ?
O7 Cs1 B4 89.10(19) 1_545 6_566 ?
O7 Cs1 O3 41.49(15) 1_545 1_545 ?
O7 Cs1 O5 86.53(15) 1_545 6_566 ?
O7 Cs1 O8 90.36(11) 1_545 . ?
O7 Cs1 O9 168.34(14) 1_545 5_657 ?
O8 Cs1 B1 22.44(17) . . ?
O8 Cs1 B3 62.21(17) . . ?
O8 Cs1 B4 101.91(19) . 6_566 ?
O8 Cs1 O3 99.55(13) . 1_545 ?
O8 Cs1 O9 78.74(10) . 5_657 ?
O9 Cs1 B1 85.71(18) 5_657 . ?
O9 Cs1 B1 21.50(19) . . ?
O9 Cs1 B3 94.46(18) 5_657 . ?
O9 Cs1 B3 22.46(19) . . ?
O9 Cs1 B4 60.2(2) . 6_566 ?
O9 Cs1 O1 135.83(16) . 6_556 ?
O9 Cs1 O3 126.77(16) . 1_545 ?
O9 Cs1 O3 96.09(16) . 6_556 ?
O9 Cs1 O5 82.75(15) . 6_566 ?
O9 Cs1 O6 45.87(15) . 6_566 ?
O9 Cs1 O7 93.91(16) . 1_545 ?
O9 Cs1 O8 41.96(15) . . ?
O9 Cs1 O9 80.79(16) . 5_657 ?
Cs1 B1 Cs1 128.1(3) . 1_565 ?
O3 B1 Cs1 148.7(6) . . ?
O3 B1 Cs1 68.5(5) . 1_565 ?
O3 B1 O8 119.5(8) . . ?
O3 B1 O9 122.3(8) . . ?
O8 B1 Cs1 74.7(5) . . ?
O8 B1 Cs1 126.3(6) . 1_565 ?
O9 B1 Cs1 78.6(5) . 1_565 ?
O9 B1 Cs1 52.2(4) . . ?
O9 B1 O8 118.2(8) . . ?
K1 B2 K1 67.74(18) 4_556 . ?
K1 B2 Cs1 126.8(3) . 1_565 ?
K1 B2 Cs1 125.8(3) . 6 ?
K1 B2 Cs1 154.9(3) 4_556 6 ?
K1 B2 Cs1 66.23(17) 4_556 1_565 ?
Cs1 B2 Cs1 107.1(2) 1_565 6 ?
O3 B2 K1 132.5(5) . 4_556 ?
O3 B2 K1 138.0(5) . . ?
O3 B2 Cs1 68.1(4) . 1_565 ?
O3 B2 Cs1 54.7(4) . 6 ?
O3 B2 O5 107.0(7) . 1_545 ?
O4 B2 K1 51.5(4) . 4_556 ?
O4 B2 K1 46.0(4) . . ?
O4 B2 Cs1 84.0(4) . 1_565 ?
O4 B2 Cs1 153.7(5) . 6 ?
O4 B2 O3 111.8(7) . . ?
O4 B2 O5 111.9(7) . 1_545 ?
O4 B2 O7 106.7(7) . . ?
O5 B2 K1 67.7(4) 1_545 . ?
O5 B2 K1 120.5(5) 1_545 4_556 ?
O5 B2 Cs1 163.7(6) 1_545 1_565 ?
O5 B2 Cs1 60.1(4) 1_545 6 ?
O7 B2 K1 111.2(5) . . ?
O7 B2 K1 55.7(4) . 4_556 ?
O7 B2 Cs1 99.5(5) . 6 ?
O7 B2 Cs1 59.9(4) . 1_565 ?
O7 B2 O3 109.5(7) . . ?
O7 B2 O5 110.0(7) . 1_545 ?
K1 B3 K1 67.25(18) 4_556 . ?
K1 B3 Cs1 104.1(3) . . ?
K1 B3 Cs1 125.3(3) . 1_565 ?
K1 B3 Cs1 65.93(18) 4_556 1_565 ?
K1 B3 Cs1 170.8(3) 4_556 . ?
Cs1 B3 Cs1 123.2(3) . 1_565 ?
O1 B3 K1 61.4(4) 6_566 4_556 ?
O1 B3 K1 120.7(5) 6_566 . ?
O1 B3 Cs1 124.0(5) 6_566 . ?
O1 B3 Cs1 53.3(4) 6_566 1_565 ?
O1 B3 O6 110.4(7) 6_566 6_566 ?
O1 B3 O9 107.9(7) 6_566 . ?
O4 B3 K1 44.5(4) . . ?
O4 B3 K1 50.8(4) . 4_556 ?
O4 B3 Cs1 125.5(5) . . ?
O4 B3 Cs1 83.6(5) . 1_565 ?
O4 B3 O1 110.2(7) . 6_566 ?
O4 B3 O6 110.4(7) . 6_566 ?
O4 B3 O9 111.8(7) . . ?
O6 B3 K1 114.3(5) 6_566 4_556 ?
O6 B3 K1 66.4(4) 6_566 . ?
O6 B3 Cs1 162.5(6) 6_566 1_565 ?
O6 B3 Cs1 57.6(4) 6_566 . ?
O6 B3 O9 106.1(7) 6_566 . ?
O9 B3 K1 139.4(6) . 4_556 ?
O9 B3 K1 130.5(5) . . ?
O9 B3 Cs1 48.5(4) . . ?
O9 B3 Cs1 76.7(5) . 1_565 ?
K1 B4 K1 94.5(3) 7_566 1_565 ?
K1 B4 Cs1 147.3(3) 1_565 6_565 ?
K1 B4 Cs1 70.21(19) 7_566 6_565 ?
O2 B4 K1 157.3(6) . 7_566 ?
O2 B4 K1 64.0(4) . 1_565 ?
O2 B4 Cs1 131.9(6) . 6_565 ?
O5 B4 K1 72.2(5) . 1_565 ?
O5 B4 K1 54.1(4) . 7_566 ?
O5 B4 Cs1 75.6(5) . 6_565 ?
O5 B4 O2 120.0(8) . . ?
O6 B4 K1 138.8(6) . 1_565 ?
O6 B4 K1 70.4(5) . 7_566 ?
O6 B4 Cs1 64.6(4) . 6_565 ?
O6 B4 O2 120.2(8) . . ?
O6 B4 O5 119.8(8) . . ?
K1 B5 Cs1 145.2(3) 7_556 1_565 ?
O1 B5 K1 53.7(4) . 7_556 ?
O1 B5 Cs1 128.0(6) . 1_565 ?
O1 B5 O2 120.6(8) . . ?
O1 B5 O7 125.5(8) . . ?
O2 B5 K1 125.1(6) . 7_556 ?
O2 B5 Cs1 85.9(5) . 1_565 ?
O7 B5 K1 94.2(5) . 7_556 ?
O7 B5 Cs1 54.9(4) . 1_565 ?
O7 B5 O2 113.9(8) . . ?
K1 O1 Cs1 79.76(15) 7_556 6 ?
B3 O1 K1 92.3(5) 6_565 7_556 ?
B3 O1 Cs1 104.5(5) 6_565 6 ?
B5 O1 K1 105.0(5) . 7_556 ?
B5 O1 Cs1 130.8(5) . 6 ?
B5 O1 B3 123.8(7) . 6_565 ?
B4 O2 K1 91.1(5) . 1_565 ?
B4 O2 B5 119.0(7) . . ?
B5 O2 K1 133.1(5) . 1_565 ?
Cs1 O3 Cs1 131.13(19) 6 1_565 ?
B1 O3 Cs1 120.4(5) . 6 ?
B1 O3 Cs1 90.4(5) . 1_565 ?
B1 O3 B2 120.1(7) . . ?
B2 O3 Cs1 88.8(4) . 1_565 ?
B2 O3 Cs1 103.7(5) . 6 ?
K1 O4 K1 90.38(18) . 4_556 ?
B2 O4 K1 103.5(5) . 4_556 ?
B2 O4 K1 110.4(5) . . ?
B3 O4 K1 112.9(5) . . ?
B3 O4 K1 104.7(5) . 4_556 ?
B3 O4 B2 127.4(6) . . ?
K1 O5 K1 110.5(2) 7_566 1_565 ?
K1 O5 Cs1 164.4(2) 1_565 6_565 ?
K1 O5 Cs1 77.98(15) 7_566 6_565 ?
B2 O5 K1 131.9(5) 1_565 7_566 ?
B2 O5 K1 86.2(4) 1_565 1_565 ?
B2 O5 Cs1 97.8(5) 1_565 6_565 ?
B4 O5 K1 101.9(5) . 7_566 ?
B4 O5 K1 83.5(5) . 1_565 ?
B4 O5 Cs1 81.9(5) . 6_565 ?
B4 O5 B2 125.1(7) . 1_565 ?
K1 O6 K1 73.89(14) 7_566 6_565 ?
K1 O6 Cs1 126.2(2) 6_565 6_565 ?
K1 O6 Cs1 77.05(14) 7_566 6_565 ?
B3 O6 K1 87.7(4) 6_565 6_565 ?
B3 O6 K1 152.6(5) 6_565 7_566 ?
B3 O6 Cs1 99.0(4) 6_565 6_565 ?
B4 O6 K1 85.3(5) . 7_566 ?
B4 O6 K1 128.0(5) . 6_565 ?
B4 O6 Cs1 92.8(5) . 6_565 ?
B4 O6 B3 122.1(7) . 6_565 ?
K1 O7 Cs1 79.42(14) 4_556 1_565 ?
B2 O7 K1 98.1(5) . 4_556 ?
B2 O7 Cs1 97.3(4) . 1_565 ?
B5 O7 K1 129.7(5) . 4_556 ?
B5 O7 Cs1 105.3(5) . 1_565 ?
B5 O7 B2 129.6(7) . . ?
Cs1 O8 Cs1 86.4(2) . 2_656 ?
B1 O8 Cs1 145.6(5) . 2_656 ?
B1 O8 Cs1 145.6(5) 2_656 . ?
B1 O8 Cs1 82.8(5) 2_656 2_656 ?
B1 O8 Cs1 82.8(5) . . ?
B1 O8 B1 122.6(11) 2_656 . ?
Cs1 O9 Cs1 161.7(2) . 1_565 ?
Cs1 O9 Cs1 99.21(16) . 5_657 ?
Cs1 O9 Cs1 62.69(11) 5_657 1_565 ?
B1 O9 Cs1 106.3(5) . . ?
B1 O9 Cs1 98.6(5) . 5_657 ?
B1 O9 Cs1 80.5(5) . 1_565 ?
B1 O9 B3 120.6(7) . . ?
B3 O9 Cs1 80.4(5) . 1_565 ?
B3 O9 Cs1 109.0(5) . . ?
B3 O9 Cs1 120.4(5) . 5_657 ?

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
K1 B2 O3 Cs1 -148.9(5) 4_556 . . 6 ?
K1 B2 O3 Cs1 106.6(7) . . . 6 ?
K1 B2 O3 Cs1 -121.2(7) . . . 1_565 ?
K1 B2 O3 Cs1 -16.6(6) 4_556 . . 1_565 ?
K1 B2 O3 B1 -31.5(12) . . . . ?
K1 B2 O3 B1 73.1(10) 4_556 . . . ?
K1 B2 O4 K1 -95.5(3) . . . 4_556 ?
K1 B2 O4 K1 95.5(3) 4_556 . . . ?
K1 B2 O4 B3 143.7(9) . . . . ?
K1 B2 O4 B3 -120.8(8) 4_556 . . . ?
K1 B2 O7 K1 40.9(4) . . . 4_556 ?
K1 B2 O7 Cs1 121.1(3) . . . 1_565 ?
K1 B2 O7 Cs1 80.29(19) 4_556 . . 1_565 ?
K1 B2 O7 B5 -122.0(8) . . . . ?
K1 B2 O7 B5 -162.9(10) 4_556 . . . ?
K1 B3 O4 K1 96.8(4) . . . 4_556 ?
K1 B3 O4 K1 -96.8(4) 4_556 . . . ?
K1 B3 O4 B2 -143.0(9) . . . . ?
K1 B3 O4 B2 120.3(8) 4_556 . . . ?
K1 B3 O9 Cs1 125.4(6) . . . 1_565 ?
K1 B3 O9 Cs1 22.9(7) 4_556 . . 1_565 ?
K1 B3 O9 Cs1 175.7(3) . . . 5_657 ?
K1 B3 O9 Cs1 -173.3(6) 4_556 . . . ?
K1 B3 O9 Cs1 -70.8(7) . . . . ?
K1 B3 O9 Cs1 73.2(9) 4_556 . . 5_657 ?
K1 B3 O9 B1 52.5(11) . . . . ?
K1 B3 O9 B1 -50.0(12) 4_556 . . . ?
K1 B4 O2 K1 -20.3(17) 7_566 . . 1_565 ?
K1 B4 O2 B5 122.0(15) 7_566 . . . ?
K1 B4 O2 B5 142.3(8) 1_565 . . . ?
K1 B4 O5 K1 -109.6(3) 1_565 . . 7_566 ?
K1 B4 O5 K1 109.6(3) 7_566 . . 1_565 ?
K1 B4 O5 Cs1 174.56(18) 1_565 . . 6_565 ?
K1 B4 O5 Cs1 -75.8(2) 7_566 . . 6_565 ?
K1 B4 O5 B2 -169.6(9) 7_566 . . 1_565 ?
K1 B4 O5 B2 80.7(7) 1_565 . . 1_565 ?
K1 B4 O6 K1 8.6(13) 1_565 . . 6_565 ?
K1 B4 O6 K1 73.9(8) 1_565 . . 7_566 ?
K1 B4 O6 K1 -65.3(5) 7_566 . . 6_565 ?
K1 B4 O6 Cs1 76.75(15) 7_566 . . 6_565 ?
K1 B4 O6 Cs1 150.6(8) 1_565 . . 6_565 ?
K1 B4 O6 B3 179.2(7) 7_566 . . 6_565 ?
K1 B4 O6 B3 -106.9(9) 1_565 . . 6_565 ?
K1 B5 O1 Cs1 -89.3(6) 7_556 . . 6 ?
K1 B5 O1 B3 103.2(8) 7_556 . . 6_565 ?
K1 B5 O2 K1 65.7(9) 7_556 . . 1_565 ?
K1 B5 O2 B4 -57.4(10) 7_556 . . . ?
K1 B5 O7 K1 -108.7(5) 7_556 . . 4_556 ?
K1 B5 O7 Cs1 162.44(18) 7_556 . . 1_565 ?
K1 B5 O7 B2 49.0(9) 7_556 . . . ?
Cs1 B1 O3 Cs1 129.0(10) . . . 1_565 ?
Cs1 B1 O3 Cs1 -91.0(11) . . . 6 ?
Cs1 B1 O3 Cs1 140.0(4) 1_565 . . 6 ?
Cs1 B1 O3 B2 -88.8(7) 1_565 . . . ?
Cs1 B1 O3 B2 40.2(15) . . . . ?
Cs1 B1 O8 Cs1 -160.8(5) 1_565 . . 2_656 ?
Cs1 B1 O8 Cs1 126.4(5) 1_565 . . . ?
Cs1 B1 O8 Cs1 72.9(8) . . . 2_656 ?
Cs1 B1 O8 B1 -28.6(3) 1_565 . . 2_656 ?
Cs1 B1 O8 B1 -155.0(3) . . . 2_656 ?
Cs1 B1 O9 Cs1 102.3(3) . . . 5_657 ?
Cs1 B1 O9 Cs1 -162.6(3) 1_565 . . . ?
Cs1 B1 O9 Cs1 162.6(3) . . . 1_565 ?
Cs1 B1 O9 Cs1 -60.29(17) 1_565 . . 5_657 ?
Cs1 B1 O9 B3 -124.6(8) . . . . ?
Cs1 B1 O9 B3 72.9(7) 1_565 . . . ?
Cs1 B2 O3 Cs1 132.2(3) 6 . . 1_565 ?
Cs1 B2 O3 Cs1 -132.2(3) 1_565 . . 6 ?
Cs1 B2 O3 B1 89.7(7) 1_565 . . . ?
Cs1 B2 O3 B1 -138.0(8) 6 . . . ?
Cs1 B2 O4 K1 64.2(2) 1_565 . . 4_556 ?
Cs1 B2 O4 K1 -178.8(10) 6 . . 4_556 ?
Cs1 B2 O4 K1 159.8(2) 1_565 . . . ?
Cs1 B2 O4 K1 -83.2(12) 6 . . . ?
Cs1 B2 O4 B3 -56.5(8) 1_565 . . . ?
Cs1 B2 O4 B3 60.5(15) 6 . . . ?
Cs1 B2 O7 K1 -80.29(19) 1_565 . . 4_556 ?
Cs1 B2 O7 K1 175.41(19) 6 . . 4_556 ?
Cs1 B2 O7 Cs1 -104.3(2) 6 . . 1_565 ?
Cs1 B2 O7 B5 12.6(9) 6 . . . ?
Cs1 B2 O7 B5 116.9(9) 1_565 . . . ?
Cs1 B3 O4 K1 72.6(6) . . . . ?
Cs1 B3 O4 K1 -160.8(3) 1_565 . . . ?
Cs1 B3 O4 K1 -64.0(3) 1_565 . . 4_556 ?
Cs1 B3 O4 K1 169.4(4) . . . 4_556 ?
Cs1 B3 O4 B2 -70.4(10) . . . . ?
Cs1 B3 O4 B2 56.3(7) 1_565 . . . ?
Cs1 B3 O9 Cs1 163.8(3) 1_565 . . . ?
Cs1 B3 O9 Cs1 -163.8(3) . . . 1_565 ?
Cs1 B3 O9 Cs1 -113.5(5) . . . 5_657 ?
Cs1 B3 O9 Cs1 50.3(4) 1_565 . . 5_657 ?
Cs1 B3 O9 B1 -72.9(7) 1_565 . . . ?
Cs1 B3 O9 B1 123.3(8) . . . . ?
Cs1 B4 O2 K1 145.1(6) 6_565 . . 1_565 ?
Cs1 B4 O2 B5 -72.7(10) 6_565 . . . ?
Cs1 B4 O5 K1 -174.56(18) 6_565 . . 1_565 ?
Cs1 B4 O5 K1 75.8(2) 6_565 . . 7_566 ?
Cs1 B4 O5 B2 -93.8(7) 6_565 . . 1_565 ?
Cs1 B4 O6 K1 -76.75(14) 6_565 . . 7_566 ?
Cs1 B4 O6 K1 -142.1(6) 6_565 . . 6_565 ?
Cs1 B4 O6 B3 102.4(7) 6_565 . . 6_565 ?
Cs1 B5 O1 K1 135.9(5) 1_565 . . 7_556 ?
Cs1 B5 O1 Cs1 46.6(10) 1_565 . . 6 ?
Cs1 B5 O1 B3 -120.9(7) 1_565 . . 6_565 ?
Cs1 B5 O2 K1 -97.1(5) 1_565 . . 1_565 ?
Cs1 B5 O2 B4 139.8(7) 1_565 . . . ?
Cs1 B5 O7 K1 88.8(5) 1_565 . . 4_556 ?
Cs1 B5 O7 B2 -113.4(9) 1_565 . . . ?
O1 B3 O4 K1 -113.7(6) 6_566 . . . ?
O1 B3 O4 K1 -17.0(7) 6_566 . . 4_556 ?
O1 B3 O4 B2 103.3(8) 6_566 . . . ?
O1 B3 O9 Cs1 120.0(6) 6_566 . . . ?
O1 B3 O9 Cs1 6.5(9) 6_566 . . 5_657 ?
O1 B3 O9 Cs1 -43.8(6) 6_566 . . 1_565 ?
O1 B3 O9 B1 -116.7(8) 6_566 . . . ?
O1 B5 O2 K1 130.5(7) . . . 1_565 ?
O1 B5 O2 B4 7.4(13) . . . . ?
O1 B5 O7 K1 -156.1(7) . . . 4_556 ?
O1 B5 O7 Cs1 115.1(9) . . . 1_565 ?
O1 B5 O7 B2 1.6(15) . . . . ?
O2 B4 O5 K1 -44.2(8) . . . 1_565 ?
O2 B4 O5 K1 -153.8(7) . . . 7_566 ?
O2 B4 O5 Cs1 130.4(8) . . . 6_565 ?
O2 B4 O5 B2 36.6(13) . . . 1_565 ?
O2 B4 O6 K1 92.5(9) . . . 6_565 ?
O2 B4 O6 K1 157.8(8) . . . 7_566 ?
O2 B4 O6 Cs1 -125.4(8) . . . 6_565 ?
O2 B4 O6 B3 -23.0(12) . . . 6_565 ?
O2 B5 O1 K1 -113.3(8) . . . 7_556 ?
O2 B5 O1 Cs1 157.5(5) . . . 6 ?
O2 B5 O1 B3 -10.1(13) . . . 6_565 ?
O2 B5 O7 K1 22.9(11) . . . 4_556 ?
O2 B5 O7 Cs1 -66.0(8) . . . 1_565 ?
O2 B5 O7 B2 -179.4(7) . . . . ?
O3 B1 O8 Cs1 -76.8(13) . . . 2_656 ?
O3 B1 O8 Cs1 -149.7(8) . . . . ?
O3 B1 O8 B1 55.3(7) . . . 2_656 ?
O3 B1 O9 Cs1 142.1(7) . . . . ?
O3 B1 O9 Cs1 -115.6(8) . . . 5_657 ?
O3 B1 O9 Cs1 -55.3(8) . . . 1_565 ?
O3 B1 O9 B3 17.5(13) . . . . ?
O3 B2 O4 K1 127.8(6) . . . 4_556 ?
O3 B2 O4 K1 -136.7(5) . . . . ?
O3 B2 O4 B3 7.0(11) . . . . ?
O3 B2 O7 K1 -128.8(6) . . . 4_556 ?
O3 B2 O7 Cs1 -48.5(6) . . . 1_565 ?
O3 B2 O7 B5 68.3(11) . . . . ?
O4 B2 O3 Cs1 -73.7(6) . . . 1_565 ?
O4 B2 O3 Cs1 154.1(5) . . . 6 ?
O4 B2 O3 B1 16.1(11) . . . . ?
O4 B2 O7 K1 -7.7(6) . . . 4_556 ?
O4 B2 O7 Cs1 72.6(6) . . . 1_565 ?
O4 B2 O7 B5 -170.5(8) . . . . ?
O4 B3 O9 Cs1 -118.8(6) . . . . ?
O4 B3 O9 Cs1 77.4(6) . . . 1_565 ?
O4 B3 O9 Cs1 127.7(6) . . . 5_657 ?
O4 B3 O9 B1 4.5(11) . . . . ?
O5 B2 O3 Cs1 163.5(5) 1_545 . . 1_565 ?
O5 B2 O3 Cs1 31.2(7) 1_545 . . 6 ?
O5 B2 O3 B1 -106.8(8) 1_545 . . . ?
O5 B2 O4 K1 -16.7(8) 1_545 . . . ?
O5 B2 O4 K1 -112.2(6) 1_545 . . 4_556 ?
O5 B2 O4 B3 127.0(8) 1_545 . . . ?
O5 B2 O7 K1 113.9(6) 1_545 . . 4_556 ?
O5 B2 O7 Cs1 -165.8(5) 1_545 . . 1_565 ?
O5 B2 O7 B5 -49.0(11) 1_545 . . . ?
O5 B4 O2 K1 47.6(8) . . . 1_565 ?
O5 B4 O2 B5 -170.2(8) . . . . ?
O5 B4 O6 K1 -88.2(10) . . . 6_565 ?
O5 B4 O6 K1 -22.9(8) . . . 7_566 ?
O5 B4 O6 Cs1 53.9(8) . . . 6_565 ?
O5 B4 O6 B3 156.3(8) . . . 6_565 ?
O6 B3 O4 K1 8.5(8) 6_566 . . . ?
O6 B3 O4 K1 105.3(6) 6_566 . . 4_556 ?
O6 B3 O4 B2 -134.5(8) 6_566 . . . ?
O6 B3 O9 Cs1 -111.9(6) 6_566 . . 5_657 ?
O6 B3 O9 Cs1 1.6(7) 6_566 . . . ?
O6 B3 O9 Cs1 -162.2(6) 6_566 . . 1_565 ?
O6 B3 O9 B1 124.9(8) 6_566 . . . ?
O6 B4 O2 K1 -133.2(8) . . . 1_565 ?
O6 B4 O2 B5 9.1(13) . . . . ?
O6 B4 O5 K1 26.9(9) . . . 7_566 ?
O6 B4 O5 K1 136.6(8) . . . 1_565 ?
O6 B4 O5 Cs1 -48.9(8) . . . 6_565 ?
O6 B4 O5 B2 -142.7(8) . . . 1_565 ?
O7 B2 O3 Cs1 44.3(6) . . . 1_565 ?
O7 B2 O3 Cs1 -87.9(6) . . . 6 ?
O7 B2 O3 B1 134.0(8) . . . . ?
O7 B2 O4 K1 103.7(6) . . . . ?
O7 B2 O4 K1 8.1(7) . . . 4_556 ?
O7 B2 O4 B3 -112.6(8) . . . . ?
O7 B5 O1 K1 65.6(10) . . . 7_556 ?
O7 B5 O1 Cs1 -23.6(14) . . . 6 ?
O7 B5 O1 B3 168.8(8) . . . 6_565 ?
O7 B5 O2 K1 -48.6(11) . . . 1_565 ?
O7 B5 O2 B4 -171.7(8) . . . . ?
O8 B1 O3 Cs1 19.5(11) . . . 6 ?
O8 B1 O3 Cs1 -120.5(8) . . . 1_565 ?
O8 B1 O3 B2 150.6(8) . . . . ?
O8 B1 O9 Cs1 125.2(8) . . . 1_565 ?
O8 B1 O9 Cs1 64.9(8) . . . 5_657 ?
O8 B1 O9 Cs1 -37.4(9) . . . . ?
O8 B1 O9 B3 -161.9(8) . . . . ?
O9 B1 O3 Cs1 -160.0(6) . . . 6 ?
O9 B1 O3 Cs1 60.0(8) . . . 1_565 ?
O9 B1 O3 B2 -28.8(12) . . . . ?
O9 B1 O8 Cs1 102.7(9) . . . 2_656 ?
O9 B1 O8 Cs1 29.8(7) . . . . ?
O9 B1 O8 B1 -125.2(9) . . . 2_656 ?
O9 B3 O4 K1 -136.9(6) . . . 4_556 ?
O9 B3 O4 K1 126.3(6) . . . . ?
O9 B3 O4 B2 -16.6(12) . . . . ?

_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_22222222222
_database_code_depnum_ccdc_archive 'CCDC 2485109'
loop_
_audit_author_name
_audit_author_address
'Xiangcong Ma'
;Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2025-09-04 deposited with the CCDC.	2025-12-17 downloaded from the CCDC.
;
_audit_creation_date             2025-06-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B10 Cs2 Na2 O17'
_chemical_formula_sum            'B10 Cs2 Na2 O17'
_chemical_formula_weight         691.90
_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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        C2/c
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.723(9)
_cell_length_b                   6.566(3)
_cell_length_c                   11.082(5)
_cell_angle_alpha                90
_cell_angle_beta                 105.557(17)
_cell_angle_gamma                90
_cell_volume                     1522.6(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4464
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      29.90
_cell_measurement_theta_min      3.25
_shelx_estimated_absorpt_T_max   0.638
_shelx_estimated_absorpt_T_min   0.612
_exptl_absorpt_coefficient_mu    4.942
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6471
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0800 before and 0.0645 after correction.
The Ratio of minimum to maximum transmission is 0.8672.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.018
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0644
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14648
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         1.946
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_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         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1550
_reflns_number_total             1737
_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 V8.41 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.41 (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.878
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         1737
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0298
_refine_ls_restrained_S_all      1.062
_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)+(0.0257P)²+10.7442P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0697
_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
Na1 Na 0.23275(8) 0.9518(2) 0.68379(15) 0.0212(4) Uani 1 1 d . . . . .
Cs1 Cs 0.44178(2) 1.30707(4) 0.90386(3) 0.02718(11) Uani 1 1 d . . . . .
B1 B 0.3197(2) -0.0731(6) 0.4964(4) 0.0117(8) Uani 1 1 d . . . . .
B2 B 0.3339(2) 0.2778(6) 0.5634(4) 0.0126(8) Uani 1 1 d . . . . .
B3 B 0.3448(2) 0.6373(6) 0.6512(4) 0.0100(8) Uani 1 1 d . . . . .
B4 B 0.4451(2) 0.8052(6) 0.7632(4) 0.0141(8) Uani 1 1 d . . . . .
B5 B 0.3547(2) 0.8219(6) 0.8592(4) 0.0125(8) Uani 1 1 d . . . . .
O1 O 0.31881(14) -0.2738(4) 0.5243(2) 0.0137(6) Uani 1 1 d . . . . .
O2 O 0.32590(13) -0.0190(4) 0.3811(2) 0.0127(5) Uani 1 1 d . . . . .
O3 O 0.31694(15) 0.0771(4) 0.5833(2) 0.0187(6) Uani 1 1 d . . . . .
O4 O 0.35612(14) 0.3228(4) 0.4634(2) 0.0164(6) Uani 1 1 d . . . . .
O5 O 0.32928(13) 0.4177(4) 0.6502(2) 0.0135(5) Uani 1 1 d . . . . .
O6 O 0.41631(14) 0.6608(4) 0.6799(3) 0.0168(6) Uani 1 1 d . . . . .
O7 O 0.31896(12) 0.7324(4) 0.7441(2) 0.0107(5) Uani 1 1 d . . . . .
O8 O 0.42210(13) 0.8657(4) 0.8599(3) 0.0168(6) Uani 1 1 d . . . . .
O9 O 0.500000 0.9001(6) 0.750000 0.0229(9) Uani 1 2 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
Na1 Na1 3.5919(19) 4_546 ?
Na1 Na1 3.5919(19) 4_556 ?
Na1 B1 3.165(4) 1_565 ?
Na1 B3 3.053(4) 4_556 ?
Na1 B5 3.043(5) 4_556 ?
Na1 O1 2.559(3) 7_556 ?
Na1 O2 2.588(3) 6_566 ?
Na1 O3 2.521(3) 1_565 ?
Na1 O4 2.625(3) 7_566 ?
Na1 O5 2.565(3) 4_556 ?
Na1 O7 2.403(3) 4_556 ?
Na1 O7 2.315(3) . ?
Cs1 B1 3.449(4) 6_566 ?
Cs1 B4 3.631(4) 1_565 ?
Cs1 B4 3.654(4) . ?
Cs1 O1 3.298(3) 6_566 ?
Cs1 O2 3.104(3) 6_566 ?
Cs1 O4 3.235(3) 6_576 ?
Cs1 O5 3.273(3) 1_565 ?
Cs1 O6 3.335(3) 1_565 ?
Cs1 O6 3.258(3) 6_576 ?
Cs1 O8 2.951(3) . ?
Cs1 O8 3.568(3) 5_677 ?
Cs1 O9 3.578(3) . ?
B1 O1 1.355(5) . ?
B1 O2 1.367(5) . ?
B1 O3 1.392(5) . ?
B2 O3 1.401(5) . ?
B2 O4 1.355(5) . ?
B2 O5 1.352(5) . ?
B3 O1 1.488(5) 1_565 ?
B3 O5 1.480(5) . ?
B3 O6 1.507(5) . ?
B3 O7 1.440(5) . ?
B4 O6 1.353(5) . ?
B4 O8 1.357(5) . ?
B4 O9 1.389(5) . ?
B5 O2 1.485(5) 6_566 ?
B5 O4 1.490(5) 6_566 ?
B5 O7 1.430(5) . ?
B5 O8 1.489(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
Na1 Na1 Na1 132.11(10) 4_556 4_546 ?
B1 Na1 Na1 97.18(9) 1_565 4_546 ?
B1 Na1 Na1 102.67(10) 1_565 4_556 ?
B3 Na1 Na1 58.60(9) 4_556 4_556 ?
B3 Na1 Na1 102.02(10) 4_556 4_546 ?
B3 Na1 B1 159.45(12) 4_556 1_565 ?
B5 Na1 Na1 147.89(11) 4_556 4_546 ?
B5 Na1 Na1 52.20(9) 4_556 4_556 ?
B5 Na1 B1 113.35(12) 4_556 1_565 ?
B5 Na1 B3 49.69(11) 4_556 4_556 ?
O1 Na1 Na1 141.10(9) 7_556 4_556 ?
O1 Na1 Na1 86.77(8) 7_556 4_546 ?
O1 Na1 B1 65.12(11) 7_556 1_565 ?
O1 Na1 B3 122.90(12) 7_556 4_556 ?
O1 Na1 B5 96.88(12) 7_556 4_556 ?
O1 Na1 O2 153.26(11) 7_556 6_566 ?
O1 Na1 O4 68.06(10) 7_556 7_566 ?
O1 Na1 O5 114.78(11) 7_556 4_556 ?
O2 Na1 Na1 77.31(9) 6_566 4_546 ?
O2 Na1 Na1 57.92(8) 6_566 4_556 ?
O2 Na1 B1 95.40(12) 6_566 1_565 ?
O2 Na1 B3 81.85(11) 6_566 4_556 ?
O2 Na1 B5 108.06(11) 6_566 4_556 ?
O2 Na1 O4 135.00(10) 6_566 7_566 ?
O3 Na1 Na1 77.61(8) 1_565 4_556 ?
O3 Na1 Na1 112.47(10) 1_565 4_546 ?
O3 Na1 B1 25.23(10) 1_565 1_565 ?
O3 Na1 B3 135.79(12) 1_565 4_556 ?
O3 Na1 B5 99.60(12) 1_565 4_556 ?
O3 Na1 O1 86.86(10) 1_565 7_556 ?
O3 Na1 O2 79.75(10) 1_565 6_566 ?
O3 Na1 O4 92.36(11) 1_565 7_566 ?
O3 Na1 O5 158.16(11) 1_565 4_556 ?
O4 Na1 Na1 77.09(7) 7_566 4_556 ?
O4 Na1 Na1 143.85(10) 7_566 4_546 ?
O4 Na1 B1 95.18(11) 7_566 1_565 ?
O4 Na1 B3 73.44(11) 7_566 4_556 ?
O4 Na1 B5 29.31(10) 7_566 4_556 ?
O5 Na1 Na1 83.05(8) 4_556 4_556 ?
O5 Na1 Na1 73.71(8) 4_556 4_546 ?
O5 Na1 B1 170.78(12) 4_556 1_565 ?
O5 Na1 B3 28.93(9) 4_556 4_556 ?
O5 Na1 B5 75.86(10) 4_556 4_556 ?
O5 Na1 O2 81.43(10) 4_556 6_566 ?
O5 Na1 O4 93.14(10) 4_556 7_566 ?
O7 Na1 Na1 129.02(10) 4_556 4_546 ?
O7 Na1 Na1 41.35(7) . 4_546 ?
O7 Na1 Na1 39.51(7) 4_556 4_556 ?
O7 Na1 Na1 112.76(11) . 4_556 ?
O7 Na1 B1 65.03(11) . 1_565 ?
O7 Na1 B1 132.26(12) 4_556 1_565 ?
O7 Na1 B3 127.55(12) . 4_556 ?
O7 Na1 B3 27.45(10) 4_556 4_556 ?
O7 Na1 B5 164.84(13) . 4_556 ?
O7 Na1 B5 27.36(10) 4_556 4_556 ?
O7 Na1 O1 95.77(11) . 7_556 ?
O7 Na1 O1 121.27(11) 4_556 7_556 ?
O7 Na1 O2 58.23(9) . 6_566 ?
O7 Na1 O2 85.27(10) 4_556 6_566 ?
O7 Na1 O3 72.77(10) . 1_565 ?
O7 Na1 O3 110.85(11) 4_556 1_565 ?
O7 Na1 O4 159.00(11) . 7_566 ?
O7 Na1 O4 56.16(9) 4_556 7_566 ?
O7 Na1 O5 56.36(9) 4_556 4_556 ?
O7 Na1 O5 106.19(11) . 4_556 ?
O7 Na1 O7 142.67(9) . 4_556 ?
B1 Cs1 B4 129.32(10) 6_566 1_565 ?
B1 Cs1 B4 80.19(10) 6_566 . ?
B1 Cs1 O8 101.07(9) 6_566 5_677 ?
B1 Cs1 O9 101.96(8) 6_566 . ?
B4 Cs1 B4 128.62(13) 1_565 . ?
O1 Cs1 B1 23.03(8) 6_566 6_566 ?
O1 Cs1 B4 102.91(8) 6_566 . ?
O1 Cs1 B4 110.15(8) 6_566 1_565 ?
O1 Cs1 O6 110.88(7) 6_566 1_565 ?
O1 Cs1 O8 106.49(7) 6_566 5_677 ?
O1 Cs1 O9 124.86(6) 6_566 . ?
O2 Cs1 B1 23.31(8) 6_566 6_566 ?
O2 Cs1 B4 128.51(9) 6_566 1_565 ?
O2 Cs1 B4 61.58(9) 6_566 . ?
O2 Cs1 O1 42.72(6) 6_566 6_566 ?
O2 Cs1 O4 88.63(8) 6_566 6_576 ?
O2 Cs1 O5 70.31(7) 6_566 1_565 ?
O2 Cs1 O6 113.26(7) 6_566 1_565 ?
O2 Cs1 O6 77.15(7) 6_566 6_576 ?
O2 Cs1 O8 111.11(7) 6_566 5_677 ?
O2 Cs1 O9 83.62(6) 6_566 . ?
O4 Cs1 B1 75.16(9) 6_576 6_566 ?
O4 Cs1 B4 59.31(9) 6_576 1_565 ?
O4 Cs1 B4 147.42(9) 6_576 . ?
O4 Cs1 O1 52.73(7) 6_576 6_566 ?
O4 Cs1 O5 70.77(7) 6_576 1_565 ?
O4 Cs1 O6 60.53(7) 6_576 6_576 ?
O4 Cs1 O6 68.83(7) 6_576 1_565 ?
O4 Cs1 O8 119.87(7) 6_576 5_677 ?
O4 Cs1 O9 162.64(5) 6_576 . ?
O5 Cs1 B1 84.13(9) 1_565 6_566 ?
O5 Cs1 B4 61.82(9) 1_565 1_565 ?
O5 Cs1 B4 85.94(9) 1_565 . ?
O5 Cs1 O1 82.12(7) 1_565 6_566 ?
O5 Cs1 O6 43.11(7) 1_565 1_565 ?
O5 Cs1 O8 168.95(6) 1_565 5_677 ?
O5 Cs1 O9 91.97(5) 1_565 . ?
O6 Cs1 B1 54.00(9) 6_576 6_566 ?
O6 Cs1 B1 122.95(9) 1_565 6_566 ?
O6 Cs1 B4 111.87(9) 6_576 1_565 ?
O6 Cs1 B4 21.87(8) 1_565 1_565 ?
O6 Cs1 B4 109.21(9) 1_565 . ?
O6 Cs1 B4 119.11(9) 6_576 . ?
O6 Cs1 O1 42.65(7) 6_576 6_566 ?
O6 Cs1 O5 121.08(7) 6_576 1_565 ?
O6 Cs1 O6 128.13(5) 6_576 1_565 ?
O6 Cs1 O8 134.98(7) 1_565 5_677 ?
O6 Cs1 O8 69.37(7) 6_576 5_677 ?
O6 Cs1 O9 100.06(7) 1_565 . ?
O6 Cs1 O9 131.80(6) 6_576 . ?
O8 Cs1 B1 61.50(9) . 6_566 ?
O8 Cs1 B4 85.37(9) 5_677 . ?
O8 Cs1 B4 119.57(9) 5_677 1_565 ?
O8 Cs1 B4 20.34(9) . . ?
O8 Cs1 B4 146.32(9) . 1_565 ?
O8 Cs1 O1 84.53(7) . 6_566 ?
O8 Cs1 O2 46.35(7) . 6_566 ?
O8 Cs1 O4 134.89(8) . 6_576 ?
O8 Cs1 O5 91.96(7) . 1_565 ?
O8 Cs1 O6 124.97(7) . 1_565 ?
O8 Cs1 O6 99.51(7) . 6_576 ?
O8 Cs1 O8 82.18(7) . 5_677 ?
O8 Cs1 O9 40.71(7) . . ?
O8 Cs1 O9 77.47(5) 5_677 . ?
O9 Cs1 B4 114.70(9) . 1_565 ?
O9 Cs1 B4 22.11(8) . . ?
Na1 B1 Cs1 149.30(14) 1_545 6_565 ?
O1 B1 Na1 81.5(2) . 1_545 ?
O1 B1 Cs1 72.2(2) . 6_565 ?
O1 B1 O2 118.5(3) . . ?
O1 B1 O3 121.7(3) . . ?
O2 B1 Na1 145.6(3) . 1_545 ?
O2 B1 Cs1 64.03(19) . 6_565 ?
O2 B1 O3 119.7(3) . . ?
O3 B1 Na1 50.54(18) . 1_545 ?
O3 B1 Cs1 134.5(3) . 6_565 ?
O3 B2 Cs1 90.5(2) . 1_545 ?
O4 B2 Cs1 122.0(3) . 1_545 ?
O4 B2 O3 120.0(3) . . ?
O5 B2 Cs1 54.2(2) . 1_545 ?
O5 B2 O3 117.0(3) . . ?
O5 B2 O4 123.0(3) . . ?
Na1 B3 Cs1 161.48(13) 4_546 6_575 ?
Na1 B3 Cs1 66.95(9) 4_546 1_545 ?
Cs1 B3 Cs1 106.30(11) 1_545 6_575 ?
O1 B3 Na1 126.3(3) 1_565 4_546 ?
O1 B3 Cs1 55.80(17) 1_565 6_575 ?
O1 B3 Cs1 159.4(2) 1_565 1_545 ?
O1 B3 O6 105.6(3) 1_565 . ?
O5 B3 Na1 56.94(17) . 4_546 ?
O5 B3 Cs1 61.29(18) . 1_545 ?
O5 B3 Cs1 104.6(2) . 6_575 ?
O5 B3 O1 110.3(3) . 1_565 ?
O5 B3 O6 108.8(3) . . ?
O6 B3 Na1 128.1(2) . 4_546 ?
O6 B3 Cs1 54.42(16) . 6_575 ?
O6 B3 Cs1 63.71(18) . 1_545 ?
O7 B3 Na1 50.30(16) . 4_546 ?
O7 B3 Cs1 88.0(2) . 1_545 ?
O7 B3 Cs1 148.2(2) . 6_575 ?
O7 B3 O1 112.5(3) . 1_565 ?
O7 B3 O5 107.2(3) . . ?
O7 B3 O6 112.5(3) . . ?
Cs1 B4 Cs1 81.20(9) . 5_677 ?
Cs1 B4 Cs1 128.62(13) 1_545 . ?
Cs1 B4 Cs1 60.38(7) 1_545 5_677 ?
O6 B4 Cs1 66.6(2) . 1_545 ?
O6 B4 Cs1 149.8(3) . . ?
O6 B4 Cs1 124.7(2) . 5_677 ?
O6 B4 O8 122.9(4) . . ?
O6 B4 O9 119.7(3) . . ?
O8 B4 Cs1 65.3(2) . 5_677 ?
O8 B4 Cs1 82.6(2) . 1_545 ?
O8 B4 Cs1 49.13(18) . . ?
O8 B4 O9 117.4(4) . . ?
O9 B4 Cs1 81.01(19) . 5_677 ?
O9 B4 Cs1 75.9(2) . . ?
O9 B4 Cs1 124.5(3) . 1_545 ?
Na1 B5 Cs1 65.31(9) 4_546 1_545 ?
Na1 B5 Cs1 172.76(16) 4_546 . ?
Cs1 B5 Cs1 121.91(13) . 1_545 ?
O2 B5 Na1 116.6(3) 6_566 4_546 ?
O2 B5 Cs1 163.8(2) 6_566 1_545 ?
O2 B5 Cs1 56.39(18) 6_566 . ?
O2 B5 O4 110.5(3) 6_566 6_566 ?
O2 B5 O8 106.7(3) 6_566 . ?
O4 B5 Na1 59.60(18) 6_566 4_546 ?
O4 B5 Cs1 55.37(17) 6_566 1_545 ?
O4 B5 Cs1 123.1(2) 6_566 . ?
O7 B5 Na1 50.58(17) . 4_546 ?
O7 B5 Cs1 127.9(2) . . ?
O7 B5 Cs1 83.3(2) . 1_545 ?
O7 B5 O2 110.6(3) . 6_566 ?
O7 B5 O4 108.8(3) . 6_566 ?
O7 B5 O8 112.5(3) . . ?
O8 B5 Na1 136.6(2) . 4_546 ?
O8 B5 Cs1 50.33(16) . . ?
O8 B5 Cs1 73.74(19) . 1_545 ?
O8 B5 O4 107.7(3) . 6_566 ?
Na1 O1 Cs1 79.13(8) 7_556 6_565 ?
B1 O1 Na1 105.5(2) . 7_556 ?
B1 O1 Cs1 84.8(2) . 6_565 ?
B1 O1 B3 124.9(3) . 1_545 ?
B3 O1 Na1 129.5(2) 1_545 7_556 ?
B3 O1 Cs1 102.3(2) 1_545 6_565 ?
Na1 O2 Cs1 127.28(10) 6_565 6_565 ?
B1 O2 Na1 125.7(2) . 6_565 ?
B1 O2 Cs1 92.7(2) . 6_565 ?
B1 O2 B5 122.1(3) . 6_565 ?
B5 O2 Na1 88.9(2) 6_565 6_565 ?
B5 O2 Cs1 100.1(2) 6_565 6_565 ?
B1 O3 Na1 104.2(2) . 1_545 ?
B1 O3 B2 119.7(3) . . ?
B2 O3 Na1 128.9(2) . 1_545 ?
Na1 O4 Cs1 79.45(8) 7_566 6_575 ?
B2 O4 Na1 105.5(2) . 7_566 ?
B2 O4 Cs1 132.9(2) . 6_575 ?
B2 O4 B5 123.9(3) . 6_565 ?
B5 O4 Na1 91.1(2) 6_565 7_566 ?
B5 O4 Cs1 102.4(2) 6_565 6_575 ?
Na1 O5 Cs1 79.53(8) 4_546 1_545 ?
B2 O5 Na1 136.2(2) . 4_546 ?
B2 O5 Cs1 106.2(2) . 1_545 ?
B2 O5 B3 127.4(3) . . ?
B3 O5 Na1 94.1(2) . 4_546 ?
B3 O5 Cs1 95.3(2) . 1_545 ?
Cs1 O6 Cs1 135.05(9) 6_575 1_545 ?
B3 O6 Cs1 103.5(2) . 6_575 ?
B3 O6 Cs1 92.39(19) . 1_545 ?
B4 O6 Cs1 115.6(2) . 6_575 ?
B4 O6 Cs1 91.5(2) . 1_545 ?
B4 O6 B3 118.5(3) . . ?
Na1 O7 Na1 99.14(10) . 4_546 ?
B3 O7 Na1 102.2(2) . 4_546 ?
B3 O7 Na1 120.3(2) . . ?
B5 O7 Na1 102.1(2) . 4_546 ?
B5 O7 Na1 101.9(2) . . ?
B5 O7 B3 126.3(3) . . ?
Cs1 O8 Cs1 160.53(10) . 1_545 ?
Cs1 O8 Cs1 62.97(5) 5_677 1_545 ?
Cs1 O8 Cs1 97.82(7) . 5_677 ?
B4 O8 Cs1 94.5(2) . 5_677 ?
B4 O8 Cs1 110.5(2) . . ?
B4 O8 Cs1 76.1(2) . 1_545 ?
B4 O8 B5 120.5(3) . . ?
B5 O8 Cs1 83.59(19) . 1_545 ?
B5 O8 Cs1 106.8(2) . . ?
B5 O8 Cs1 124.2(2) . 5_677 ?
Cs1 O9 Cs1 83.38(9) . 2_656 ?
B4 O9 Cs1 82.0(2) 2_656 2_656 ?
B4 O9 Cs1 144.0(2) 2_656 . ?
B4 O9 Cs1 82.0(2) . . ?
B4 O9 Cs1 144.0(2) . 2_656 ?
B4 O9 B4 126.6(5) . 2_656 ?

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
Na1 B1 O1 Na1 118.89(13) 1_545 . . 7_556 ?
Na1 B1 O1 Cs1 -163.94(9) 1_545 . . 6_565 ?
Na1 B1 O1 B3 -62.6(3) 1_545 . . 1_545 ?
Na1 B1 O2 Na1 -27.9(6) 1_545 . . 6_565 ?
Na1 B1 O2 Cs1 -169.2(4) 1_545 . . 6_565 ?
Na1 B1 O2 B5 87.2(5) 1_545 . . 6_565 ?
Na1 B1 O3 B2 -153.1(4) 1_545 . . . ?
Na1 B3 O5 Cs1 -79.85(9) 4_546 . . 1_545 ?
Na1 B3 O5 B2 165.0(4) 4_546 . . . ?
Na1 B3 O6 Cs1 19.4(3) 4_546 . . 1_545 ?
Na1 B3 O6 Cs1 157.01(19) 4_546 . . 6_575 ?
Na1 B3 O6 B4 -73.6(4) 4_546 . . . ?
Na1 B3 O7 Na1 -108.4(2) 4_546 . . . ?
Na1 B3 O7 B5 115.2(3) 4_546 . . . ?
Na1 B5 O7 Na1 102.17(15) 4_546 . . . ?
Na1 B5 O7 B3 -115.2(3) 4_546 . . . ?
Na1 B5 O8 Cs1 -70.7(4) 4_546 . . 5_677 ?
Na1 B5 O8 Cs1 -19.7(3) 4_546 . . 1_545 ?
Na1 B5 O8 Cs1 177.1(2) 4_546 . . . ?
Na1 B5 O8 B4 50.0(5) 4_546 . . . ?
Cs1 B1 O1 Na1 -77.18(12) 6_565 . . 7_556 ?
Cs1 B1 O1 B3 101.4(3) 6_565 . . 1_545 ?
Cs1 B1 O2 Na1 141.3(2) 6_565 . . 6_565 ?
Cs1 B1 O2 B5 -103.7(3) 6_565 . . 6_565 ?
Cs1 B1 O3 Na1 -138.8(2) 6_565 . . 1_545 ?
Cs1 B1 O3 B2 68.1(5) 6_565 . . . ?
Cs1 B2 O3 Na1 82.7(3) 1_545 . . 1_545 ?
Cs1 B2 O3 B1 -131.7(3) 1_545 . . . ?
Cs1 B2 O4 Na1 -135.97(17) 1_545 . . 7_566 ?
Cs1 B2 O4 Cs1 -46.1(4) 1_545 . . 6_575 ?
Cs1 B2 O4 B5 121.9(3) 1_545 . . 6_565 ?
Cs1 B2 O5 Na1 -91.7(3) 1_545 . . 4_546 ?
Cs1 B2 O5 B3 110.1(4) 1_545 . . . ?
Cs1 B3 O5 Na1 -179.28(11) 6_575 . . 4_546 ?
Cs1 B3 O5 Na1 79.85(9) 1_545 . . 4_546 ?
Cs1 B3 O5 Cs1 100.87(12) 6_575 . . 1_545 ?
Cs1 B3 O5 B2 -14.3(4) 6_575 . . . ?
Cs1 B3 O5 B2 -115.1(4) 1_545 . . . ?
Cs1 B3 O6 Cs1 -137.59(12) 6_575 . . 1_545 ?
Cs1 B3 O6 Cs1 137.59(12) 1_545 . . 6_575 ?
Cs1 B3 O6 B4 -93.0(3) 1_545 . . . ?
Cs1 B3 O6 B4 129.4(3) 6_575 . . . ?
Cs1 B3 O7 Na1 -61.26(13) 1_545 . . 4_546 ?
Cs1 B3 O7 Na1 71.8(5) 6_575 . . . ?
Cs1 B3 O7 Na1 -179.8(4) 6_575 . . 4_546 ?
Cs1 B3 O7 Na1 -169.62(15) 1_545 . . . ?
Cs1 B3 O7 B5 -64.7(6) 6_575 . . . ?
Cs1 B3 O7 B5 53.9(3) 1_545 . . . ?
Cs1 B4 O6 Cs1 -127.5(5) . . . 1_545 ?
Cs1 B4 O6 Cs1 -125.4(2) 5_677 . . 6_575 ?
Cs1 B4 O6 Cs1 89.6(5) . . . 6_575 ?
Cs1 B4 O6 Cs1 -142.87(18) 1_545 . . 6_575 ?
Cs1 B4 O6 Cs1 17.5(2) 5_677 . . 1_545 ?
Cs1 B4 O6 B3 -34.0(7) . . . . ?
Cs1 B4 O6 B3 111.0(3) 5_677 . . . ?
Cs1 B4 O6 B3 93.5(3) 1_545 . . . ?
Cs1 B4 O8 Cs1 -100.09(15) . . . 5_677 ?
Cs1 B4 O8 Cs1 160.82(12) 1_545 . . . ?
Cs1 B4 O8 Cs1 -60.73(8) 5_677 . . 1_545 ?
Cs1 B4 O8 Cs1 100.09(15) 5_677 . . . ?
Cs1 B4 O8 Cs1 -160.82(12) . . . 1_545 ?
Cs1 B4 O8 Cs1 60.73(8) 1_545 . . 5_677 ?
Cs1 B4 O8 B5 -73.8(3) 1_545 . . . ?
Cs1 B4 O8 B5 125.4(4) . . . . ?
Cs1 B4 O8 B5 -134.5(3) 5_677 . . . ?
Cs1 B4 O9 Cs1 -150.1(3) 5_677 . . 2_656 ?
Cs1 B4 O9 Cs1 165.57(17) 1_545 . . 2_656 ?
Cs1 B4 O9 Cs1 -127.4(2) 1_545 . . . ?
Cs1 B4 O9 Cs1 -67.0(3) . . . 2_656 ?
Cs1 B4 O9 Cs1 -83.11(5) 5_677 . . . ?
Cs1 B4 O9 B4 156.09(12) . . . 2_656 ?
Cs1 B4 O9 B4 28.67(14) 1_545 . . 2_656 ?
Cs1 B4 O9 B4 72.98(9) 5_677 . . 2_656 ?
Cs1 B5 O7 Na1 63.36(12) 1_545 . . 4_546 ?
Cs1 B5 O7 Na1 -68.8(3) . . . . ?
Cs1 B5 O7 Na1 -170.94(19) . . . 4_546 ?
Cs1 B5 O7 Na1 165.53(10) 1_545 . . . ?
Cs1 B5 O7 B3 -51.9(3) 1_545 . . . ?
Cs1 B5 O7 B3 73.8(4) . . . . ?
Cs1 B5 O8 Cs1 112.2(2) . . . 5_677 ?
Cs1 B5 O8 Cs1 -51.00(16) 1_545 . . 5_677 ?
Cs1 B5 O8 Cs1 -163.16(12) 1_545 . . . ?
Cs1 B5 O8 Cs1 163.16(12) . . . 1_545 ?
Cs1 B5 O8 B4 69.7(3) 1_545 . . . ?
Cs1 B5 O8 B4 -127.1(4) . . . . ?
O1 B1 O2 Na1 91.9(4) . . . 6_565 ?
O1 B1 O2 Cs1 -49.3(4) . . . 6_565 ?
O1 B1 O2 B5 -153.0(4) . . . 6_565 ?
O1 B1 O3 Na1 -42.9(4) . . . 1_545 ?
O1 B1 O3 B2 164.1(4) . . . . ?
O1 B3 O5 Na1 -120.8(3) 1_565 . . 4_546 ?
O1 B3 O5 Cs1 159.3(2) 1_565 . . 1_545 ?
O1 B3 O5 B2 44.2(5) 1_565 . . . ?
O1 B3 O6 Cs1 -23.6(3) 1_565 . . 6_575 ?
O1 B3 O6 Cs1 -161.1(2) 1_565 . . 1_545 ?
O1 B3 O6 B4 105.8(4) 1_565 . . . ?
O1 B3 O7 Na1 119.2(3) 1_565 . . 4_546 ?
O1 B3 O7 Na1 10.9(4) 1_565 . . . ?
O1 B3 O7 B5 -125.6(4) 1_565 . . . ?
O2 B1 O1 Na1 -31.4(4) . . . 7_556 ?
O2 B1 O1 Cs1 45.7(3) . . . 6_565 ?
O2 B1 O1 B3 147.1(4) . . . 1_545 ?
O2 B1 O3 Na1 139.6(3) . . . 1_545 ?
O2 B1 O3 B2 -13.5(6) . . . . ?
O2 B5 O7 Na1 -108.1(3) 6_566 . . 4_546 ?
O2 B5 O7 Na1 -5.9(3) 6_566 . . . ?
O2 B5 O7 B3 136.7(3) 6_566 . . . ?
O2 B5 O8 Cs1 163.1(3) 6_566 . . 1_545 ?
O2 B5 O8 Cs1 -0.1(3) 6_566 . . . ?
O2 B5 O8 Cs1 112.1(3) 6_566 . . 5_677 ?
O2 B5 O8 B4 -127.2(3) 6_566 . . . ?
O3 B1 O1 Na1 151.0(3) . . . 7_556 ?
O3 B1 O1 Cs1 -131.9(4) . . . 6_565 ?
O3 B1 O1 B3 -30.5(6) . . . 1_545 ?
O3 B1 O2 Na1 -90.4(4) . . . 6_565 ?
O3 B1 O2 Cs1 128.3(3) . . . 6_565 ?
O3 B1 O2 B5 24.6(5) . . . 6_565 ?
O3 B2 O4 Na1 112.1(4) . . . 7_566 ?
O3 B2 O4 Cs1 -158.0(3) . . . 6_575 ?
O3 B2 O4 B5 10.0(6) . . . 6_565 ?
O3 B2 O5 Na1 -22.5(6) . . . 4_546 ?
O3 B2 O5 Cs1 69.2(4) . . . 1_545 ?
O3 B2 O5 B3 179.3(3) . . . . ?
O4 B2 O3 Na1 -149.2(3) . . . 1_545 ?
O4 B2 O3 B1 -3.5(6) . . . . ?
O4 B2 O5 Na1 160.1(3) . . . 4_546 ?
O4 B2 O5 Cs1 -108.1(4) . . . 1_545 ?
O4 B2 O5 B3 2.0(6) . . . . ?
O4 B5 O7 Na1 13.5(3) 6_566 . . 4_546 ?
O4 B5 O7 Na1 115.6(3) 6_566 . . . ?
O4 B5 O7 B3 -101.8(4) 6_566 . . . ?
O4 B5 O8 Cs1 44.4(2) 6_566 . . 1_545 ?
O4 B5 O8 Cs1 -118.7(2) 6_566 . . . ?
O4 B5 O8 Cs1 -6.6(4) 6_566 . . 5_677 ?
O4 B5 O8 B4 114.2(4) 6_566 . . . ?
O5 B2 O3 Na1 33.4(5) . . . 1_545 ?
O5 B2 O3 B1 179.0(4) . . . . ?
O5 B2 O4 Na1 -70.6(4) . . . 7_566 ?
O5 B2 O4 Cs1 19.3(6) . . . 6_575 ?
O5 B2 O4 B5 -172.7(4) . . . 6_565 ?
O5 B3 O6 Cs1 94.8(2) . . . 6_575 ?
O5 B3 O6 Cs1 -42.8(3) . . . 1_545 ?
O5 B3 O6 B4 -135.8(3) . . . . ?
O5 B3 O7 Na1 -110.5(3) . . . . ?
O5 B3 O7 Na1 -2.2(3) . . . 4_546 ?
O5 B3 O7 B5 113.0(4) . . . . ?
O6 B3 O5 Na1 123.9(2) . . . 4_546 ?
O6 B3 O5 Cs1 44.0(3) . . . 1_545 ?
O6 B3 O5 B2 -71.1(5) . . . . ?
O6 B3 O7 Na1 130.0(3) . . . . ?
O6 B3 O7 Na1 -121.7(3) . . . 4_546 ?
O6 B3 O7 B5 -6.5(5) . . . . ?
O6 B4 O8 Cs1 -143.3(3) . . . . ?
O6 B4 O8 Cs1 55.9(3) . . . 1_545 ?
O6 B4 O8 Cs1 116.6(4) . . . 5_677 ?
O6 B4 O8 B5 -17.9(6) . . . . ?
O6 B4 O9 Cs1 151.9(4) . . . . ?
O6 B4 O9 Cs1 84.9(5) . . . 2_656 ?
O6 B4 O9 B4 -52.0(3) . . . 2_656 ?
O7 B3 O5 Na1 2.0(3) . . . 4_546 ?
O7 B3 O5 Cs1 -77.9(3) . . . 1_545 ?
O7 B3 O5 B2 167.0(3) . . . . ?
O7 B3 O6 Cs1 75.8(3) . . . 1_545 ?
O7 B3 O6 Cs1 -146.6(2) . . . 6_575 ?
O7 B3 O6 B4 -17.2(5) . . . . ?
O7 B5 O8 Cs1 -126.5(3) . . . 5_677 ?
O7 B5 O8 Cs1 -75.5(3) . . . 1_545 ?
O7 B5 O8 Cs1 121.4(3) . . . . ?
O7 B5 O8 B4 -5.7(5) . . . . ?
O8 B4 O6 Cs1 153.7(3) . . . 6_575 ?
O8 B4 O6 Cs1 -63.5(4) . . . 1_545 ?
O8 B4 O6 B3 30.1(5) . . . . ?
O8 B4 O9 Cs1 -94.1(4) . . . 2_656 ?
O8 B4 O9 Cs1 -27.1(3) . . . . ?
O8 B4 O9 B4 129.0(4) . . . 2_656 ?
O8 B5 O7 Na1 132.7(3) . . . 4_546 ?
O8 B5 O7 Na1 -125.2(3) . . . . ?
O8 B5 O7 B3 17.4(5) . . . . ?
O9 B4 O6 Cs1 -25.3(4) . . . 6_575 ?
O9 B4 O6 Cs1 117.6(3) . . . 1_545 ?
O9 B4 O6 B3 -148.9(3) . . . . ?
O9 B4 O8 Cs1 -64.4(3) . . . 5_677 ?
O9 B4 O8 Cs1 -125.1(4) . . . 1_545 ?
O9 B4 O8 Cs1 35.7(4) . . . . ?
O9 B4 O8 B5 161.1(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
