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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 2183769'
loop_
_audit_author_name
_audit_author_address
a 'Beijing Institute of Technlogy'
_audit_update_record             
;
2022-09-09 deposited with the CCDC.	2022-10-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'B7 Cs Ga H3 K Na O15, 0.5(H2 O)'
_chemical_formula_sum            'B7 H4 Cs Ga K Na O15.50'
_chemical_formula_weight         592.42

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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

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

_cell_length_a                   11.5142(12)
_cell_length_b                   7.0317(6)
_cell_length_c                   17.2789(16)
_cell_angle_alpha                90
_cell_angle_beta                 92.127(8)
_cell_angle_gamma                90
_cell_volume                     1398.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3183
_cell_measurement_theta_min      4.5810
_cell_measurement_theta_max      28.4130

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.815
_exptl_crystal_F_000             1116
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    4.949
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8108
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.573
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             2462
_reflns_number_gt                2184
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0858P)²+6.9472P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2462
_refine_ls_number_parameters     252
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0474
_refine_ls_wR_factor_ref         0.1382
_refine_ls_wR_factor_gt          0.1336
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga Ga 0.54591(5) 0.18544(8) 1.21151(3) 0.0088(2) Uani 1 1 d . . . . .
Cs Cs 0.72648(15) 0.37517(14) 0.83188(9) 0.0380(5) Uani 0.884(7) 1 d . . P A 1
Cs' Cs 0.6882(9) 0.3998(9) 0.8584(7) 0.037(2) Uani 0.116(7) 1 d . U P A 2
K K 1.19360(16) -0.1922(2) 0.65253(10) 0.0319(5) Uani 1 1 d . . . . .
Na Na 1.0208(2) 0.1934(4) 0.92447(15) 0.0188(6) Uani 1 1 d . . . . .
B1 B 0.7471(6) 0.1409(9) 1.1249(4) 0.0106(13) Uani 1 1 d . . . . .
B2 B 0.6609(6) -0.0911(9) 0.8911(4) 0.0144(14) Uani 1 1 d . . . . .
B3 B 0.9890(6) -0.3941(9) 0.8160(4) 0.0127(14) Uani 1 1 d . . . . .
B4 B 0.8721(6) -0.1460(9) 0.8817(4) 0.0115(14) Uani 1 1 d . . . . .
B5 B 1.0038(6) -0.0648(10) 0.7737(4) 0.0145(14) Uani 1 1 d . . . . .
B6 B 0.7989(6) 0.0403(9) 0.9926(4) 0.0119(14) Uani 1 1 d . . . . .
B7 B 0.8191(7) 0.3744(10) 1.0368(4) 0.0159(15) Uani 1 1 d . . . . .
O1 O 0.6893(4) 0.0969(6) 1.1878(2) 0.0123(9) Uani 1 1 d . . . . .
O2 O 1.0265(4) -0.2577(6) 0.7637(2) 0.0175(10) Uani 1 1 d . . . . .
O3 O 0.9308(4) -0.0095(5) 0.8296(2) 0.0126(9) Uani 1 1 d . . . . .
O4 O 0.9270(4) -0.3373(5) 0.8774(2) 0.0155(10) Uani 1 1 d . . . . .
O5 O 0.7926(4) 0.0038(5) 1.0779(2) 0.0136(9) Uani 1 1 d . . . . .
O6 O 0.8828(4) -0.0817(6) 0.9604(2) 0.0108(9) Uani 1 1 d . . . . .
O7 O 1.0511(4) 0.0563(6) 0.7233(2) 0.0169(10) Uani 1 1 d . . . . .
O8 O 0.7503(4) -0.1670(6) 0.8520(2) 0.0158(9) Uani 1 1 d . . . . .
O9 O 1.0093(4) -0.5807(6) 0.8049(2) 0.0159(10) Uani 1 1 d . . . . .
O10 O 0.8373(4) 0.2434(6) 0.9819(2) 0.0131(9) Uani 1 1 d . . . . .
O11 O 0.7647(5) 0.3316(6) 1.1049(3) 0.0232(12) Uani 1 1 d . . . . .
O12 O 0.6833(4) 0.0183(6) 0.9565(3) 0.0193(10) Uani 1 1 d . . . . .
O13 O 0.5479(4) -0.1124(8) 0.8696(3) 0.0280(12) Uani 1 1 d . . . . .
O14 O 0.8469(5) 0.5610(7) 1.0276(3) 0.0270(12) Uani 1 1 d . . . . .
H14 H 0.8584 0.5815 0.9819 0.04(3) Uiso 1 1 d R . . A .
O1W O 1.0000 0.5000 0.5000 0.071(3) Uani 1 2 d S U P . .
H1WA H 0.9674 0.5279 0.4565 0.107 Uiso 0.5 1 d R U P . .
H1WB H 1.0220 0.6063 0.5188 0.107 Uiso 0.5 1 d R U P . .
O2W O 0.4910(14) 0.352(2) 0.9646(8) 0.163(7) Uani 1 1 d . . . . .
H2WA H 0.5440 0.2676 0.9643 0.244 Uiso 1 1 d R U . A .
H2WB H 0.4437 0.2717 0.9811 0.244 Uiso 1 1 d R U . . .


_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
Ga O13 1.812(5) 3_657 ?
Ga O1 1.825(4) . ?
Ga O7 1.828(4) 4_566 ?
Ga O9 1.837(4) 4_556 ?
Ga K 3.741(2) 3_757 ?
Ga K 4.0111(16) 4_556 ?
Ga Cs' 4.122(7) 3_667 ?
Ga Cs 4.313(2) 4_566 ?
Cs O10 2.993(4) . ?
Cs O4 3.147(5) 1_565 ?
Cs B5 3.190(8) 2_656 ?
Cs O8 3.212(5) 2_656 ?
Cs O8 3.249(4) 1_565 ?
Cs O9 3.321(5) 1_565 ?
Cs O12 3.356(5) . ?
Cs O3 3.368(4) 2_656 ?
Cs O2 3.425(5) 2_656 ?
Cs B3 3.451(7) 1_565 ?
Cs B2 3.525(7) . ?
Cs O7 3.538(5) 2_656 ?
Cs H14 3.2920 . ?
Cs H2WA 3.2535 . ?
Cs' O10 2.904(7) . ?
Cs' O2W 2.99(2) . ?
Cs' B5 3.129(10) 2_656 ?
Cs' O8 3.132(7) 1_565 ?
Cs' O12 3.175(8) . ?
Cs' O7 3.242(8) 2_656 ?
Cs' O4 3.319(9) 1_565 ?
Cs' O2 3.377(8) 2_656 ?
Cs' B7 3.385(12) . ?
Cs' B2 3.514(9) . ?
Cs' O3 3.537(10) 2_656 ?
Cs' O14 3.574(10) . ?
Cs' H14 3.1160 . ?
Cs' H2WA 2.6830 . ?
K O7 2.718(4) . ?
K O11 2.797(4) 4_665 ?
K O5 2.806(4) 4_655 ?
K O2 2.806(4) . ?
K O2W 2.897(15) 2_646 ?
K O1 2.911(4) 4_655 ?
K O14 2.984(5) 4_665 ?
K O1 3.099(5) 3_757 ?
K B5 3.209(7) . ?
K B1 3.254(7) 4_655 ?
K B7 3.361(7) 4_665 ?
K Na 3.682(3) 2_746 ?
Na O6 2.376(5) 3_757 ?
Na O3 2.381(5) . ?
Na O10 2.393(5) . ?
Na O14 2.428(6) 3_767 ?
Na O5 2.559(5) 3_757 ?
Na O6 2.593(5) . ?
Na O9 2.605(5) 1_565 ?
Na B6 2.973(8) 3_757 ?
Na B4 3.013(7) . ?
Na B6 3.050(7) . ?
Na B5 3.176(7) . ?
Na K 3.682(3) 2_756 ?
B1 O1 1.332(8) . ?
B1 O5 1.377(7) . ?
B1 O11 1.401(8) . ?
B1 K 3.254(7) 4_556 ?
B2 O13 1.348(9) . ?
B2 O8 1.361(8) . ?
B2 O12 1.384(9) . ?
B2 Cs' 3.639(10) 1_545 ?
B2 Cs 3.970(7) 1_545 ?
B3 O9 1.348(8) . ?
B3 O4 1.360(8) . ?
B3 O2 1.398(8) . ?
B3 Cs 3.451(7) 1_545 ?
B3 Cs' 3.850(13) 1_545 ?
B4 O6 1.434(8) . ?
B4 O8 1.482(9) . ?
B4 O4 1.489(7) . ?
B4 O3 1.495(7) . ?
B4 Cs 3.823(7) 2_646 ?
B4 Cs' 3.845(9) 1_545 ?
B4 Cs 3.845(6) 1_545 ?
B5 O7 1.347(8) . ?
B5 O3 1.361(8) . ?
B5 O2 1.393(8) . ?
B5 Cs' 3.129(10) 2_646 ?
B5 Cs 3.190(8) 2_646 ?
B6 O6 1.422(8) . ?
B6 O12 1.457(9) . ?
B6 O5 1.499(7) . ?
B6 O10 1.509(8) . ?
B6 Na 2.973(8) 3_757 ?
B7 O10 1.344(8) . ?
B7 O14 1.361(8) . ?
B7 O11 1.387(8) . ?
B7 K 3.361(7) 4_566 ?
O1 K 2.911(4) 4_556 ?
O1 K 3.099(5) 3_757 ?
O2 Cs' 3.377(8) 2_646 ?
O2 Cs 3.425(5) 2_646 ?
O3 Cs 3.368(4) 2_646 ?
O3 Cs' 3.537(10) 2_646 ?
O4 Cs 3.147(5) 1_545 ?
O4 Cs' 3.319(9) 1_545 ?
O5 Na 2.559(5) 3_757 ?
O5 K 2.806(4) 4_556 ?
O6 Na 2.376(5) 3_757 ?
O7 Ga 1.828(4) 4_665 ?
O7 Cs' 3.242(8) 2_646 ?
O7 Cs 3.538(5) 2_646 ?
O8 Cs' 3.132(7) 1_545 ?
O8 Cs 3.212(5) 2_646 ?
O8 Cs 3.249(4) 1_545 ?
O8 Cs' 3.760(15) 2_646 ?
O9 Ga 1.837(4) 4_655 ?
O9 Na 2.605(5) 1_545 ?
O9 Cs 3.321(5) 1_545 ?
O11 K 2.797(4) 4_566 ?
O13 Ga 1.812(5) 3_657 ?
O13 Cs' 3.799(10) 1_545 ?
O14 Na 2.428(6) 3_767 ?
O14 K 2.984(5) 4_566 ?
O14 H14 0.8197 . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8499 . ?
O2W K 2.897(15) 2_656 ?
O2W H2WA 0.8500 . ?
O2W H2WB 0.8401 . ?

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
O13 Ga O1 104.4(2) 3_657 . ?
O13 Ga O7 112.6(2) 3_657 4_566 ?
O1 Ga O7 109.76(19) . 4_566 ?
O13 Ga O9 114.6(2) 3_657 4_556 ?
O1 Ga O9 107.42(19) . 4_556 ?
O7 Ga O9 107.93(18) 4_566 4_556 ?
O13 Ga K 158.52(16) 3_657 3_757 ?
O1 Ga K 55.56(14) . 3_757 ?
O7 Ga K 84.00(16) 4_566 3_757 ?
O9 Ga K 70.01(16) 4_556 3_757 ?
O13 Ga K 78.74(17) 3_657 4_556 ?
O1 Ga K 41.62(13) . 4_556 ?
O7 Ga K 151.04(13) 4_566 4_556 ?
O9 Ga K 89.42(13) 4_556 4_556 ?
K Ga K 80.38(4) 3_757 4_556 ?
O13 Ga Cs' 67.0(2) 3_657 3_667 ?
O1 Ga Cs' 139.7(2) . 3_667 ?
O7 Ga Cs' 49.31(17) 4_566 3_667 ?
O9 Ga Cs' 111.8(2) 4_556 3_667 ?
K Ga Cs' 132.50(10) 3_757 3_667 ?
K Ga Cs' 144.69(16) 4_556 3_667 ?
O13 Ga Cs 81.39(16) 3_657 4_566 ?
O1 Ga Cs 150.35(13) . 4_566 ?
O7 Ga Cs 93.97(12) 4_566 4_566 ?
O9 Ga Cs 46.30(15) 4_556 4_566 ?
K Ga Cs 112.12(3) 3_757 4_566 ?
K Ga Cs 114.47(3) 4_556 4_566 ?
O10 Cs O4 72.37(11) . 1_565 ?
O10 Cs B5 148.72(16) . 2_656 ?
O4 Cs B5 130.13(15) 1_565 2_656 ?
O10 Cs O8 141.22(13) . 2_656 ?
O4 Cs O8 102.67(12) 1_565 2_656 ?
B5 Cs O8 62.90(14) 2_656 2_656 ?
O10 Cs O8 100.51(12) . 1_565 ?
O4 Cs O8 43.80(11) 1_565 1_565 ?
B5 Cs O8 89.73(15) 2_656 1_565 ?
O8 Cs O8 100.81(12) 2_656 1_565 ?
O10 Cs O9 76.21(11) . 1_565 ?
O4 Cs O9 42.35(10) 1_565 1_565 ?
B5 Cs O9 134.91(15) 2_656 1_565 ?
O8 Cs O9 75.63(12) 2_656 1_565 ?
O8 Cs O9 80.97(11) 1_565 1_565 ?
O10 Cs O12 44.06(11) . . ?
O4 Cs O12 116.41(11) 1_565 . ?
B5 Cs O12 109.03(15) 2_656 . ?
O8 Cs O12 125.84(11) 2_656 . ?
O8 Cs O12 133.34(12) 1_565 . ?
O9 Cs O12 109.21(11) 1_565 . ?
O10 Cs O3 172.13(12) . 2_656 ?
O4 Cs O3 114.79(10) 1_565 2_656 ?
B5 Cs O3 23.74(14) 2_656 2_656 ?
O8 Cs O3 42.68(10) 2_656 2_656 ?
O8 Cs O3 83.73(10) 1_565 2_656 ?
O9 Cs O3 111.18(11) 1_565 2_656 ?
O12 Cs O3 128.59(11) . 2_656 ?
O10 Cs O2 131.36(11) . 2_656 ?
O4 Cs O2 154.01(11) 1_565 2_656 ?
B5 Cs O2 23.98(15) 2_656 2_656 ?
O8 Cs O2 66.32(11) 2_656 2_656 ?
O8 Cs O2 112.89(12) 1_565 2_656 ?
O9 Cs O2 141.15(12) 1_565 2_656 ?
O12 Cs O2 87.81(11) . 2_656 ?
O3 Cs O2 40.96(9) 2_656 2_656 ?
O10 Cs B3 82.39(15) . 1_565 ?
O4 Cs B3 23.21(13) 1_565 1_565 ?
B5 Cs B3 127.19(18) 2_656 1_565 ?
O8 Cs B3 81.93(15) 2_656 1_565 ?
O8 Cs B3 58.11(14) 1_565 1_565 ?
O9 Cs B3 22.86(14) 1_565 1_565 ?
O12 Cs B3 123.61(15) . 1_565 ?
O3 Cs B3 105.47(14) 2_656 1_565 ?
O2 Cs B3 145.29(15) 2_656 1_565 ?
O10 Cs B2 63.25(15) . . ?
O4 Cs B2 133.49(15) 1_565 . ?
B5 Cs B2 96.11(18) 2_656 . ?
O8 Cs B2 103.17(15) 2_656 . ?
O8 Cs B2 155.36(15) 1_565 . ?
O9 Cs B2 110.44(15) 1_565 . ?
O12 Cs B2 23.03(15) . . ?
O3 Cs B2 110.48(15) 2_656 . ?
O2 Cs B2 72.45(15) 2_656 . ?
B3 Cs B2 131.16(17) 1_565 . ?
O10 Cs O7 134.15(12) . 2_656 ?
O4 Cs O7 118.89(11) 1_565 2_656 ?
B5 Cs O7 22.34(14) 2_656 2_656 ?
O8 Cs O7 82.77(10) 2_656 2_656 ?
O8 Cs O7 75.17(11) 1_565 2_656 ?
O9 Cs O7 144.02(10) 1_565 2_656 ?
O12 Cs O7 106.76(11) . 2_656 ?
O3 Cs O7 40.33(9) 2_656 2_656 ?
O2 Cs O7 39.16(10) 2_656 2_656 ?
B3 Cs O7 126.48(14) 1_565 2_656 ?
B2 Cs O7 102.23(14) . 2_656 ?
O10 Cs H14 44.4 . . ?
O4 Cs H14 37.6 1_565 . ?
B5 Cs H14 137.8 2_656 . ?
O8 Cs H14 140.0 2_656 . ?
O8 Cs H14 56.2 1_565 . ?
O9 Cs H14 69.1 1_565 . ?
O12 Cs H14 84.2 . . ?
O3 Cs H14 139.8 2_656 . ?
O2 Cs H14 149.2 2_656 . ?
B3 Cs H14 58.3 1_565 . ?
B2 Cs H14 106.2 . . ?
O7 Cs H14 116.1 2_656 . ?
O10 Cs H2WA 65.5 . . ?
O4 Cs H2WA 117.4 1_565 . ?
B5 Cs H2WA 83.6 2_656 . ?
O8 Cs H2WA 138.9 2_656 . ?
O8 Cs H2WA 102.1 1_565 . ?
O9 Cs H2WA 141.5 1_565 . ?
O12 Cs H2WA 42.2 . . ?
O3 Cs H2WA 107.3 2_656 . ?
O2 Cs H2WA 73.5 2_656 . ?
B3 Cs H2WA 139.1 1_565 . ?
B2 Cs H2WA 55.2 . . ?
O7 Cs H2WA 70.9 2_656 . ?
H14 Cs H2WA 80.8 . . ?
O10 Cs' O2W 87.0(4) . . ?
O10 Cs' B5 161.5(3) . 2_656 ?
O2W Cs' B5 85.7(4) . 2_656 ?
O10 Cs' O8 105.4(2) . 1_565 ?
O2W Cs' O8 108.1(5) . 1_565 ?
B5 Cs' O8 93.0(2) 2_656 1_565 ?
O10 Cs' O12 46.35(15) . . ?
O2W Cs' O12 63.1(4) . . ?
B5 Cs' O12 115.5(3) 2_656 . ?
O8 Cs' O12 148.2(3) 1_565 . ?
O10 Cs' O7 156.7(6) . 2_656 ?
O2W Cs' O7 69.7(4) . 2_656 ?
B5 Cs' O7 24.33(15) 2_656 2_656 ?
O8 Cs' O7 81.14(19) 1_565 2_656 ?
O12 Cs' O7 119.2(3) . 2_656 ?
O10 Cs' O4 70.94(18) . 1_565 ?
O2W Cs' O4 130.3(5) . 1_565 ?
B5 Cs' O4 126.0(3) 2_656 1_565 ?
O8 Cs' O4 43.32(14) 1_565 1_565 ?
O12 Cs' O4 116.7(2) . 1_565 ?
O7 Cs' O4 122.8(2) 2_656 1_565 ?
O10 Cs' O2 137.2(2) . 2_656 ?
O2W Cs' O2 77.9(4) . 2_656 ?
B5 Cs' O2 24.34(16) 2_656 2_656 ?
O8 Cs' O2 117.4(2) 1_565 2_656 ?
O12 Cs' O2 91.67(19) . 2_656 ?
O7 Cs' O2 41.27(13) 2_656 2_656 ?
O4 Cs' O2 146.0(4) 1_565 2_656 ?
O10 Cs' B7 23.10(16) . . ?
O2W Cs' B7 76.0(4) . . ?
B5 Cs' B7 161.3(5) 2_656 . ?
O8 Cs' B7 89.4(2) 1_565 . ?
O12 Cs' B7 59.0(2) . . ?
O7 Cs' B7 139.2(5) 2_656 . ?
O4 Cs' B7 66.44(18) 1_565 . ?
O2 Cs' B7 147.4(4) 2_656 . ?
O10 Cs' B2 64.16(19) . . ?
O2W Cs' B2 73.5(4) . . ?
B5 Cs' B2 97.5(2) 2_656 . ?
O8 Cs' B2 169.5(3) 1_565 . ?
O12 Cs' B2 23.17(15) . . ?
O7 Cs' B2 108.9(2) 2_656 . ?
O4 Cs' B2 127.6(3) 1_565 . ?
O2 Cs' B2 73.15(19) 2_656 . ?
B7 Cs' B2 80.9(2) . . ?
O10 Cs' O3 160.3(5) . 2_656 ?
O2W Cs' O3 107.9(4) . 2_656 ?
B5 Cs' O3 22.50(16) 2_656 2_656 ?
O8 Cs' O3 82.7(2) 1_565 2_656 ?
O12 Cs' O3 128.9(2) . 2_656 ?
O7 Cs' O3 40.93(12) 2_656 2_656 ?
O4 Cs' O3 106.4(3) 1_565 2_656 ?
O2 Cs' O3 40.13(12) 2_656 2_656 ?
B7 Cs' O3 172.0(2) . 2_656 ?
B2 Cs' O3 106.9(3) . 2_656 ?
O10 Cs' O14 41.33(15) . . ?
O2W Cs' O14 84.9(4) . . ?
B5 Cs' O14 153.9(4) 2_656 . ?
O8 Cs' O14 67.05(18) 1_565 . ?
O12 Cs' O14 81.4(2) . . ?
O7 Cs' O14 130.5(4) 2_656 . ?
O4 Cs' O14 49.18(14) 1_565 . ?
O2 Cs' O14 162.8(5) 2_656 . ?
B7 Cs' O14 22.35(15) . . ?
B2 Cs' O14 103.1(2) . . ?
O3 Cs' O14 149.7(2) 2_656 . ?
O10 Cs' H14 46.6 . . ?
O2W Cs' H14 95.7 . . ?
B5 Cs' H14 151.2 2_656 . ?
O8 Cs' H14 59.1 1_565 . ?
O12 Cs' H14 90.3 . . ?
O7 Cs' H14 131.4 2_656 . ?
O4 Cs' H14 37.5 1_565 . ?
O2 Cs' H14 171.6 2_656 . ?
B7 Cs' H14 31.9 . . ?
B2 Cs' H14 110.5 . . ?
O3 Cs' H14 140.1 2_656 . ?
O14 Cs' H14 11.7 . . ?
O10 Cs' H2WA 74.4 . . ?
O2W Cs' H2WA 16.1 . . ?
B5 Cs' H2WA 95.0 2_656 . ?
O8 Cs' H2WA 120.6 1_565 . ?
O12 Cs' H2WA 47.1 . . ?
O7 Cs' H2WA 82.9 2_656 . ?
O4 Cs' H2WA 131.1 1_565 . ?
O2 Cs' H2WA 81.7 2_656 . ?
B7 Cs' H2WA 68.1 . . ?
B2 Cs' H2WA 59.2 . . ?
O3 Cs' H2WA 117.4 2_656 . ?
O14 Cs' H2WA 82.1 . . ?
H14 Cs' H2WA 93.7 . . ?
O7 K O11 74.80(13) . 4_665 ?
O7 K O5 166.16(15) . 4_655 ?
O11 K O5 116.38(13) 4_665 4_655 ?
O7 K O2 49.99(12) . . ?
O11 K O2 124.44(13) 4_665 . ?
O5 K O2 119.14(13) 4_655 . ?
O7 K O2W 78.8(3) . 2_646 ?
O11 K O2W 85.0(4) 4_665 2_646 ?
O5 K O2W 93.6(3) 4_655 2_646 ?
O2 K O2W 89.5(3) . 2_646 ?
O7 K O1 121.25(12) . 4_655 ?
O11 K O1 162.76(14) 4_665 4_655 ?
O5 K O1 48.96(11) 4_655 4_655 ?
O2 K O1 71.26(12) . 4_655 ?
O2W K O1 103.5(4) 2_646 4_655 ?
O7 K O14 120.65(13) . 4_665 ?
O11 K O14 47.15(13) 4_665 4_665 ?
O5 K O14 69.36(12) 4_655 4_665 ?
O2 K O14 169.89(14) . 4_665 ?
O2W K O14 84.3(3) 2_646 4_665 ?
O1 K O14 117.95(12) 4_655 4_665 ?
O7 K O1 73.18(13) . 3_757 ?
O11 K O1 86.74(14) 4_665 3_757 ?
O5 K O1 114.04(13) 4_655 3_757 ?
O2 K O1 73.32(13) . 3_757 ?
O2W K O1 152.0(3) 2_646 3_757 ?
O1 K O1 92.02(10) 4_655 3_757 ?
O14 K O1 109.11(14) 4_665 3_757 ?
O7 K B5 24.52(15) . . ?
O11 K B5 98.78(16) 4_665 . ?
O5 K B5 144.67(15) 4_655 . ?
O2 K B5 25.68(16) . . ?
O2W K B5 85.8(3) 2_646 . ?
O1 K B5 96.82(15) 4_655 . ?
O14 K B5 145.16(16) 4_665 . ?
O1 K B5 69.11(16) 3_757 . ?
O7 K B1 144.11(15) . 4_655 ?
O11 K B1 140.97(15) 4_665 4_655 ?
O5 K B1 24.89(14) 4_655 4_655 ?
O2 K B1 94.57(15) . 4_655 ?
O2W K B1 98.0(4) 2_646 4_655 ?
O1 K B1 24.15(14) 4_655 4_655 ?
O14 K B1 94.20(15) 4_665 4_655 ?
O1 K B1 105.17(15) 3_757 4_655 ?
B5 K B1 120.24(17) . 4_655 ?
O7 K B7 96.92(15) . 4_665 ?
O11 K B7 23.86(15) 4_665 4_665 ?
O5 K B7 93.13(14) 4_655 4_665 ?
O2 K B7 146.84(15) . 4_665 ?
O2W K B7 80.4(4) 2_646 4_665 ?
O1 K B7 141.78(15) 4_655 4_665 ?
O14 K B7 23.84(15) 4_665 4_665 ?
O1 K B7 101.73(16) 3_757 4_665 ?
B5 K B7 121.39(18) . 4_665 ?
B1 K B7 118.00(17) 4_655 4_665 ?
O7 K Na 149.90(12) . 2_746 ?
O11 K Na 79.44(11) 4_665 2_746 ?
O5 K Na 43.92(10) 4_655 2_746 ?
O2 K Na 148.82(12) . 2_746 ?
O2W K Na 114.4(3) 2_646 2_746 ?
O1 K Na 83.37(9) 4_655 2_746 ?
O14 K Na 41.07(10) 4_665 2_746 ?
O1 K Na 90.23(10) 3_757 2_746 ?
B5 K Na 159.33(16) . 2_746 ?
B1 K Na 63.79(13) 4_655 2_746 ?
B7 K Na 61.36(13) 4_665 2_746 ?
O6 Na O3 123.81(17) 3_757 . ?
O6 Na O10 95.36(16) 3_757 . ?
O3 Na O10 90.30(16) . . ?
O6 Na O14 71.46(17) 3_757 3_767 ?
O3 Na O14 155.81(18) . 3_767 ?
O10 Na O14 107.86(18) . 3_767 ?
O6 Na O5 57.84(14) 3_757 3_757 ?
O3 Na O5 90.50(16) . 3_757 ?
O10 Na O5 147.25(17) . 3_757 ?
O14 Na O5 82.76(18) 3_767 3_757 ?
O6 Na O6 79.88(17) 3_757 . ?
O3 Na O6 57.52(14) . . ?
O10 Na O6 56.79(14) . . ?
O14 Na O6 146.25(18) 3_767 . ?
O5 Na O6 97.00(15) 3_757 . ?
O6 Na O9 150.95(19) 3_757 1_565 ?
O3 Na O9 79.11(15) . 1_565 ?
O10 Na O9 102.67(16) . 1_565 ?
O14 Na O9 81.34(17) 3_767 1_565 ?
O5 Na O9 109.63(15) 3_757 1_565 ?
O6 Na O9 129.11(17) . 1_565 ?
O6 Na B6 28.09(15) 3_757 3_757 ?
O3 Na B6 106.19(19) . 3_757 ?
O10 Na B6 119.54(18) . 3_757 ?
O14 Na B6 79.1(2) 3_767 3_757 ?
O5 Na B6 30.28(14) 3_757 3_757 ?
O6 Na B6 84.01(17) . 3_757 ?
O9 Na B6 137.13(18) 1_565 3_757 ?
O6 Na B4 100.79(19) 3_757 . ?
O3 Na B4 29.29(16) . . ?
O10 Na B4 73.49(17) . . ?
O14 Na B4 172.2(2) 3_767 . ?
O5 Na B4 92.12(18) 3_757 . ?
O6 Na B4 28.39(16) . . ?
O9 Na B4 106.05(19) 1_565 . ?
B6 Na B4 93.5(2) 3_757 . ?
O6 Na B6 86.09(18) 3_757 . ?
O3 Na B6 72.84(17) . . ?
O10 Na B6 29.13(16) . . ?
O14 Na B6 130.07(19) 3_767 . ?
O5 Na B6 122.07(18) 3_757 . ?
O6 Na B6 27.70(15) . . ?
O9 Na B6 120.2(2) 1_565 . ?
B6 Na B6 101.48(18) 3_757 . ?
B4 Na B6 48.59(17) . . ?
O6 Na B5 120.72(19) 3_757 . ?
O3 Na B5 23.17(16) . . ?
O10 Na B5 113.31(19) . . ?
O14 Na B5 134.83(19) 3_767 . ?
O5 Na B5 72.75(18) 3_757 . ?
O6 Na B5 75.52(16) . . ?
O9 Na B5 72.44(17) 1_565 . ?
B6 Na B5 95.7(2) 3_757 . ?
B4 Na B5 47.83(17) . . ?
B6 Na B5 95.05(19) . . ?
O6 Na K 88.81(12) 3_757 2_756 ?
O3 Na K 104.70(12) . 2_756 ?
O10 Na K 158.71(14) . 2_756 ?
O14 Na K 53.85(12) 3_767 2_756 ?
O5 Na K 49.53(10) 3_757 2_756 ?
O6 Na K 144.38(13) . 2_756 ?
O9 Na K 66.43(12) 1_565 2_756 ?
B6 Na K 71.20(13) 3_757 2_756 ?
B4 Na K 126.26(14) . 2_756 ?
B6 Na K 171.56(16) . 2_756 ?
B5 Na K 81.79(14) . 2_756 ?
O1 B1 O5 122.1(5) . . ?
O1 B1 O11 120.3(5) . . ?
O5 B1 O11 117.6(5) . . ?
O1 B1 K 63.4(3) . 4_556 ?
O5 B1 K 59.0(3) . 4_556 ?
O11 B1 K 173.8(5) . 4_556 ?
O13 B2 O8 124.1(6) . . ?
O13 B2 O12 115.8(6) . . ?
O8 B2 O12 120.1(6) . . ?
O13 B2 Cs' 99.0(4) . . ?
O8 B2 Cs' 103.4(4) . . ?
O12 B2 Cs' 64.5(4) . . ?
O13 B2 Cs 103.8(4) . . ?
O8 B2 Cs 92.7(4) . . ?
O12 B2 Cs 71.6(3) . . ?
O13 B2 Cs' 86.3(4) . 1_545 ?
O8 B2 Cs' 57.7(4) . 1_545 ?
O12 B2 Cs' 131.2(5) . 1_545 ?
Cs' B2 Cs' 158.9(5) . 1_545 ?
O13 B2 Cs 90.9(4) . 1_545 ?
O8 B2 Cs 49.2(3) . 1_545 ?
O12 B2 Cs 134.8(4) . 1_545 ?
Cs B2 Cs 139.5(2) . 1_545 ?
O9 B3 O4 119.7(5) . . ?
O9 B3 O2 121.1(5) . . ?
O4 B3 O2 119.1(5) . . ?
O9 B3 Cs 73.2(3) . 1_545 ?
O4 B3 Cs 65.8(3) . 1_545 ?
O2 B3 Cs 131.8(5) . 1_545 ?
O9 B3 Cs' 79.8(4) . 1_545 ?
O4 B3 Cs' 57.3(4) . 1_545 ?
O2 B3 Cs' 133.1(4) . 1_545 ?
O6 B4 O8 114.0(5) . . ?
O6 B4 O4 108.1(5) . . ?
O8 B4 O4 106.9(5) . . ?
O6 B4 O3 110.1(5) . . ?
O8 B4 O3 107.4(5) . . ?
O4 B4 O3 110.4(4) . . ?
O6 B4 Na 59.3(3) . . ?
O8 B4 Na 133.3(4) . . ?
O4 B4 Na 119.3(4) . . ?
O3 B4 Na 51.2(3) . . ?
O6 B4 Cs 156.2(4) . 2_646 ?
O8 B4 Cs 55.0(3) . 2_646 ?
O4 B4 Cs 95.7(3) . 2_646 ?
O3 B4 Cs 61.2(3) . 2_646 ?
Na B4 Cs 110.59(19) . 2_646 ?
O6 B4 Cs' 112.9(4) . 1_545 ?
O8 B4 Cs' 51.0(3) . 1_545 ?
O4 B4 Cs' 58.5(3) . 1_545 ?
O3 B4 Cs' 136.9(4) . 1_545 ?
Na B4 Cs' 171.6(3) . 1_545 ?
O6 B4 Cs 120.6(3) . 1_545 ?
O8 B4 Cs 55.7(3) . 1_545 ?
O4 B4 Cs 51.7(3) . 1_545 ?
O3 B4 Cs 129.1(4) . 1_545 ?
Na B4 Cs 171.0(2) . 1_545 ?
Cs B4 Cs 72.94(13) 2_646 1_545 ?
O7 B5 O3 123.6(6) . . ?
O7 B5 O2 116.9(5) . . ?
O3 B5 O2 119.4(5) . . ?
O7 B5 Cs' 82.5(5) . 2_646 ?
O3 B5 Cs' 95.9(5) . 2_646 ?
O2 B5 Cs' 87.9(4) . 2_646 ?
O7 B5 Na 98.9(4) . . ?
O3 B5 Na 43.5(3) . . ?
O2 B5 Na 130.7(4) . . ?
Cs' B5 Na 131.6(3) 2_646 . ?
O7 B5 Cs 93.5(4) . 2_646 ?
O3 B5 Cs 85.5(4) . 2_646 ?
O2 B5 Cs 87.5(4) . 2_646 ?
Na B5 Cs 124.7(2) . 2_646 ?
O7 B5 K 56.9(3) . . ?
O3 B5 K 175.2(5) . . ?
O2 B5 K 60.8(3) . . ?
Cs' B5 K 89.0(3) 2_646 . ?
Na B5 K 132.2(2) . . ?
Cs B5 K 99.3(2) 2_646 . ?
O6 B6 O12 113.0(5) . . ?
O6 B6 O5 109.9(5) . . ?
O12 B6 O5 109.0(5) . . ?
O6 B6 O10 108.4(4) . . ?
O12 B6 O10 108.4(5) . . ?
O5 B6 O10 108.0(5) . . ?
O6 B6 Na 51.9(3) . 3_757 ?
O12 B6 Na 139.3(4) . 3_757 ?
O5 B6 Na 59.4(3) . 3_757 ?
O10 B6 Na 112.3(4) . 3_757 ?
O6 B6 Na 58.0(3) . . ?
O12 B6 Na 129.6(4) . . ?
O5 B6 Na 120.8(4) . . ?
O10 B6 Na 50.5(2) . . ?
Na B6 Na 78.52(18) 3_757 . ?
O6 B6 Cs' 113.4(4) . . ?
O12 B6 Cs' 60.4(3) . . ?
O5 B6 Cs' 135.9(4) . . ?
O10 B6 Cs' 50.2(3) . . ?
Na B6 Cs' 156.2(3) 3_757 . ?
Na B6 Cs' 77.7(2) . . ?
O6 B6 Cs 103.1(3) . . ?
O12 B6 Cs 64.6(3) . . ?
O5 B6 Cs 145.7(4) . . ?
O10 B6 Cs 50.7(3) . . ?
Na B6 Cs 147.6(2) 3_757 . ?
Na B6 Cs 69.83(14) . . ?
O10 B7 O14 122.3(6) . . ?
O10 B7 O11 122.5(6) . . ?
O14 B7 O11 115.0(6) . . ?
O10 B7 K 163.2(5) . 4_566 ?
O14 B7 K 62.4(3) . 4_566 ?
O11 B7 K 54.7(3) . 4_566 ?
O10 B7 Cs' 57.9(4) . . ?
O14 B7 Cs' 86.7(4) . . ?
O11 B7 Cs' 125.8(5) . . ?
K B7 Cs' 108.7(3) 4_566 . ?
O10 B7 Cs 50.6(3) . . ?
O14 B7 Cs 87.0(4) . . ?
O11 B7 Cs 134.2(5) . . ?
K B7 Cs 117.3(2) 4_566 . ?
B1 O1 Ga 126.0(4) . . ?
B1 O1 K 92.5(3) . 4_556 ?
Ga O1 K 113.78(18) . 4_556 ?
B1 O1 K 117.5(4) . 3_757 ?
Ga O1 K 95.39(15) . 3_757 ?
K O1 K 112.80(14) 4_556 3_757 ?
B5 O2 B3 121.6(5) . . ?
B5 O2 K 93.5(3) . . ?
B3 O2 K 142.3(4) . . ?
B5 O2 Cs' 67.8(4) . 2_646 ?
B3 O2 Cs' 113.1(5) . 2_646 ?
K O2 Cs' 91.3(3) . 2_646 ?
B5 O2 Cs 68.5(4) . 2_646 ?
B3 O2 Cs 102.8(4) . 2_646 ?
K O2 Cs 102.58(14) . 2_646 ?
B5 O3 B4 123.3(5) . . ?
B5 O3 Na 113.3(4) . . ?
B4 O3 Na 99.5(3) . . ?
B5 O3 Cs 70.8(4) . 2_646 ?
B4 O3 Cs 95.9(3) . 2_646 ?
Na O3 Cs 157.13(17) . 2_646 ?
B5 O3 Cs' 61.6(4) . 2_646 ?
B4 O3 Cs' 105.6(4) . 2_646 ?
Na O3 Cs' 152.2(2) . 2_646 ?
B5 O3 Cs 130.3(4) . . ?
B4 O3 Cs 99.6(3) . . ?
Na O3 Cs 79.02(12) . . ?
Cs O3 Cs 81.83(10) 2_646 . ?
B3 O4 B4 122.7(5) . . ?
B3 O4 Cs 91.0(4) . 1_545 ?
B4 O4 Cs 106.5(4) . 1_545 ?
B3 O4 Cs' 102.5(5) . 1_545 ?
B4 O4 Cs' 99.0(4) . 1_545 ?
B1 O5 B6 119.6(5) . . ?
B1 O5 Na 136.6(4) . 3_757 ?
B6 O5 Na 90.3(3) . 3_757 ?
B1 O5 K 96.1(3) . 4_556 ?
B6 O5 K 128.4(3) . 4_556 ?
Na O5 K 86.55(13) 3_757 4_556 ?
B6 O6 B4 121.8(5) . . ?
B6 O6 Na 100.0(4) . 3_757 ?
B4 O6 Na 135.3(4) . 3_757 ?
B6 O6 Na 94.3(3) . . ?
B4 O6 Na 92.3(3) . . ?
Na O6 Na 100.12(17) 3_757 . ?
B5 O7 Ga 133.4(4) . 4_665 ?
B5 O7 K 98.6(4) . . ?
Ga O7 K 127.31(18) 4_665 . ?
B5 O7 Cs' 73.1(4) . 2_646 ?
Ga O7 Cs' 105.4(2) 4_665 2_646 ?
K O7 Cs' 95.9(2) . 2_646 ?
B5 O7 Cs 64.2(4) . 2_646 ?
Ga O7 Cs 107.59(19) 4_665 2_646 ?
K O7 Cs 101.64(14) . 2_646 ?
B2 O8 B4 120.9(5) . . ?
B2 O8 Cs' 100.7(4) . 1_545 ?
B4 O8 Cs' 107.4(4) . 1_545 ?
B2 O8 Cs 123.1(4) . 2_646 ?
B4 O8 Cs 102.7(3) . 2_646 ?
B2 O8 Cs 112.3(4) . 1_545 ?
B4 O8 Cs 102.2(3) . 1_545 ?
Cs O8 Cs 89.73(11) 2_646 1_545 ?
B2 O8 Cs' 127.1(4) . 2_646 ?
B4 O8 Cs' 96.5(3) . 2_646 ?
Cs' O8 Cs' 102.0(3) 1_545 2_646 ?
B3 O9 Ga 124.2(4) . 4_655 ?
B3 O9 Na 119.0(4) . 1_545 ?
Ga O9 Na 116.47(19) 4_655 1_545 ?
B3 O9 Cs 84.0(4) . 1_545 ?
Ga O9 Cs 110.1(2) 4_655 1_545 ?
Na O9 Cs 81.55(12) 1_545 1_545 ?
B7 O10 B6 120.5(5) . . ?
B7 O10 Na 123.8(4) . . ?
B6 O10 Na 100.3(3) . . ?
B7 O10 Cs' 99.0(5) . . ?
B6 O10 Cs' 106.3(4) . . ?
Na O10 Cs' 105.0(3) . . ?
B7 O10 Cs 109.1(4) . . ?
B6 O10 Cs 106.4(3) . . ?
Na O10 Cs 92.36(14) . . ?
B7 O11 B1 119.4(5) . . ?
B7 O11 K 101.5(4) . 4_566 ?
B1 O11 K 138.5(4) . 4_566 ?
B2 O12 B6 123.3(5) . . ?
B2 O12 Cs' 92.3(4) . . ?
B6 O12 Cs' 96.0(4) . . ?
B2 O12 Cs 85.4(4) . . ?
B6 O12 Cs 92.4(3) . . ?
B2 O13 Ga 141.8(5) . 3_657 ?
B2 O13 Cs' 72.9(4) . 1_545 ?
Ga O13 Cs' 87.0(2) 3_657 1_545 ?
B7 O14 Na 142.5(5) . 3_767 ?
B7 O14 K 93.8(4) . 4_566 ?
Na O14 K 85.08(14) 3_767 4_566 ?
B7 O14 Cs' 71.0(4) . . ?
Na O14 Cs' 143.1(2) 3_767 . ?
K O14 Cs' 113.1(3) 4_566 . ?
B7 O14 H14 109.2 . . ?
Na O14 H14 94.7 3_767 . ?
K O14 H14 139.9 4_566 . ?
Cs' O14 H14 50.4 . . ?
H1WA O1W H1WB 104.5 . . ?
K O2W Cs' 97.9(4) 2_656 . ?
K O2W Cs 96.3(4) 2_656 . ?
K O2W H2WA 115.5 2_656 . ?
Cs' O2W H2WA 60.9 . . ?
Cs O2W H2WA 58.2 . . ?
K O2W H2WB 72.4 2_656 . ?
Cs' O2W H2WB 143.2 . . ?
Cs O2W H2WB 139.1 . . ?
H2WA O2W H2WB 90.5 . . ?

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
O5 B1 O1 Ga -128.4(5) . . . . ?
O11 B1 O1 Ga 52.2(8) . . . . ?
K B1 O1 Ga -122.0(4) 4_556 . . . ?
O5 B1 O1 K -6.4(6) . . . 4_556 ?
O11 B1 O1 K 174.3(6) . . . 4_556 ?
O5 B1 O1 K 111.0(6) . . . 3_757 ?
O11 B1 O1 K -68.3(7) . . . 3_757 ?
K B1 O1 K 117.4(3) 4_556 . . 3_757 ?
O13 Ga O1 B1 58.5(5) 3_657 . . . ?
O7 Ga O1 B1 -62.3(5) 4_566 . . . ?
O9 Ga O1 B1 -179.4(5) 4_556 . . . ?
K Ga O1 B1 -129.9(5) 3_757 . . . ?
K Ga O1 B1 112.2(5) 4_556 . . . ?
Cs' Ga O1 B1 -12.7(6) 3_667 . . . ?
Cs Ga O1 B1 156.5(4) 4_566 . . . ?
O13 Ga O1 K -53.7(2) 3_657 . . 4_556 ?
O7 Ga O1 K -174.55(19) 4_566 . . 4_556 ?
O9 Ga O1 K 68.3(2) 4_556 . . 4_556 ?
K Ga O1 K 117.8(2) 3_757 . . 4_556 ?
Cs' Ga O1 K -124.9(2) 3_667 . . 4_556 ?
Cs Ga O1 K 44.2(4) 4_566 . . 4_556 ?
O13 Ga O1 K -171.54(19) 3_657 . . 3_757 ?
O7 Ga O1 K 67.61(19) 4_566 . . 3_757 ?
O9 Ga O1 K -49.49(19) 4_556 . . 3_757 ?
K Ga O1 K -117.8(2) 4_556 . . 3_757 ?
Cs' Ga O1 K 117.2(2) 3_667 . . 3_757 ?
Cs Ga O1 K -73.6(3) 4_566 . . 3_757 ?
O7 B5 O2 B3 175.2(6) . . . . ?
O3 B5 O2 B3 -8.8(10) . . . . ?
Cs' B5 O2 B3 -104.3(6) 2_646 . . . ?
Na B5 O2 B3 43.4(8) . . . . ?
Cs B5 O2 B3 -92.2(6) 2_646 . . . ?
K B5 O2 B3 165.7(6) . . . . ?
O7 B5 O2 K 9.5(6) . . . . ?
O3 B5 O2 K -174.5(6) . . . . ?
Cs' B5 O2 K 90.0(3) 2_646 . . . ?
Na B5 O2 K -122.3(4) . . . . ?
Cs B5 O2 K 102.13(17) 2_646 . . . ?
O7 B5 O2 Cs' -80.5(6) . . . 2_646 ?
O3 B5 O2 Cs' 95.5(7) . . . 2_646 ?
Na B5 O2 Cs' 147.7(6) . . . 2_646 ?
K B5 O2 Cs' -90.0(3) . . . 2_646 ?
O7 B5 O2 Cs -92.7(6) . . . 2_646 ?
O3 B5 O2 Cs 83.4(6) . . . 2_646 ?
Na B5 O2 Cs 135.6(5) . . . 2_646 ?
K B5 O2 Cs -102.13(17) . . . 2_646 ?
O9 B3 O2 B5 178.6(6) . . . . ?
O4 B3 O2 B5 1.2(10) . . . . ?
Cs B3 O2 B5 83.6(7) 1_545 . . . ?
Cs' B3 O2 B5 72.3(8) 1_545 . . . ?
O9 B3 O2 K -25.2(11) . . . . ?
O4 B3 O2 K 157.5(4) . . . . ?
Cs B3 O2 K -120.1(5) 1_545 . . . ?
Cs' B3 O2 K -131.5(5) 1_545 . . . ?
O9 B3 O2 Cs' 101.3(6) . . . 2_646 ?
O4 B3 O2 Cs' -76.0(7) . . . 2_646 ?
Cs' B3 O2 Cs' -5.0(7) 1_545 . . 2_646 ?
O9 B3 O2 Cs 106.1(6) . . . 2_646 ?
O4 B3 O2 Cs -71.3(6) . . . 2_646 ?
Cs B3 O2 Cs 11.1(5) 1_545 . . 2_646 ?
O7 B5 O3 B4 175.6(6) . . . . ?
O2 B5 O3 B4 -0.2(10) . . . . ?
Cs' B5 O3 B4 90.6(6) 2_646 . . . ?
Na B5 O3 B4 -119.9(7) . . . . ?
Cs B5 O3 B4 84.3(5) 2_646 . . . ?
O7 B5 O3 Na -64.6(8) . . . . ?
O2 B5 O3 Na 119.6(6) . . . . ?
Cs' B5 O3 Na -149.5(3) 2_646 . . . ?
Cs B5 O3 Na -155.8(2) 2_646 . . . ?
O7 B5 O3 Cs 91.2(7) . . . 2_646 ?
O2 B5 O3 Cs -84.6(6) . . . 2_646 ?
Na B5 O3 Cs 155.8(2) . . . 2_646 ?
O7 B5 O3 Cs' 84.9(7) . . . 2_646 ?
O2 B5 O3 Cs' -90.9(6) . . . 2_646 ?
Na B5 O3 Cs' 149.5(3) . . . 2_646 ?
O7 B5 O3 Cs 30.8(10) . . . . ?
O2 B5 O3 Cs -145.0(5) . . . . ?
Na B5 O3 Cs 95.4(4) . . . . ?
Cs B5 O3 Cs -60.5(4) 2_646 . . . ?
O6 B4 O3 B5 133.6(6) . . . . ?
O8 B4 O3 B5 -101.8(6) . . . . ?
O4 B4 O3 B5 14.4(9) . . . . ?
Na B4 O3 B5 126.1(6) . . . . ?
Cs B4 O3 B5 -70.8(5) 2_646 . . . ?
Cs' B4 O3 B5 -50.9(9) 1_545 . . . ?
Cs B4 O3 B5 -42.3(8) 1_545 . . . ?
O6 B4 O3 Na 7.4(5) . . . . ?
O8 B4 O3 Na 132.0(4) . . . . ?
O4 B4 O3 Na -111.8(5) . . . . ?
Cs B4 O3 Na 163.0(2) 2_646 . . . ?
Cs' B4 O3 Na -177.0(5) 1_545 . . . ?
Cs B4 O3 Na -168.4(3) 1_545 . . . ?
O6 B4 O3 Cs -155.6(4) . . . 2_646 ?
O8 B4 O3 Cs -31.0(4) . . . 2_646 ?
O4 B4 O3 Cs 85.2(5) . . . 2_646 ?
Na B4 O3 Cs -163.0(2) . . . 2_646 ?
Cs B4 O3 Cs 28.6(4) 1_545 . . 2_646 ?
O6 B4 O3 Cs' -160.4(4) . . . 2_646 ?
O8 B4 O3 Cs' -35.8(5) . . . 2_646 ?
O4 B4 O3 Cs' 80.4(5) . . . 2_646 ?
Na B4 O3 Cs' -167.9(3) . . . 2_646 ?
Cs' B4 O3 Cs' 15.1(7) 1_545 . . 2_646 ?
O6 B4 O3 Cs -72.9(5) . . . . ?
O8 B4 O3 Cs 51.7(4) . . . . ?
O4 B4 O3 Cs 167.9(4) . . . . ?
Na B4 O3 Cs -80.34(16) . . . . ?
Cs B4 O3 Cs 82.68(14) 2_646 . . . ?
Cs B4 O3 Cs 111.3(4) 1_545 . . . ?
O9 B3 O4 B4 -161.9(6) . . . . ?
O2 B3 O4 B4 15.5(10) . . . . ?
Cs B3 O4 B4 -110.4(6) 1_545 . . . ?
Cs' B3 O4 B4 -109.4(6) 1_545 . . . ?
O9 B3 O4 Cs -51.5(6) . . . 1_545 ?
O2 B3 O4 Cs 125.9(6) . . . 1_545 ?
O9 B3 O4 Cs' -52.5(7) . . . 1_545 ?
O2 B3 O4 Cs' 124.9(6) . . . 1_545 ?
O6 B4 O4 B3 -142.6(6) . . . . ?
O8 B4 O4 B3 94.4(6) . . . . ?
O3 B4 O4 B3 -22.1(8) . . . . ?
Na B4 O4 B3 -78.2(7) . . . . ?
Cs B4 O4 B3 39.2(6) 2_646 . . . ?
Cs' B4 O4 B3 111.2(6) 1_545 . . . ?
Cs B4 O4 B3 102.2(6) 1_545 . . . ?
O6 B4 O4 Cs 115.2(4) . . . 1_545 ?
O8 B4 O4 Cs -7.9(5) . . . 1_545 ?
O3 B4 O4 Cs -124.4(4) . . . 1_545 ?
Na B4 O4 Cs 179.6(2) . . . 1_545 ?
Cs B4 O4 Cs -63.0(2) 2_646 . . 1_545 ?
O6 B4 O4 Cs' 106.2(5) . . . 1_545 ?
O8 B4 O4 Cs' -16.8(5) . . . 1_545 ?
O3 B4 O4 Cs' -133.3(5) . . . 1_545 ?
Na B4 O4 Cs' 170.6(3) . . . 1_545 ?
O1 B1 O5 B6 147.7(6) . . . . ?
O11 B1 O5 B6 -32.9(8) . . . . ?
K B1 O5 B6 141.1(5) 4_556 . . . ?
O1 B1 O5 Na -84.8(8) . . . 3_757 ?
O11 B1 O5 Na 94.6(7) . . . 3_757 ?
K B1 O5 Na -91.4(4) 4_556 . . 3_757 ?
O1 B1 O5 K 6.6(7) . . . 4_556 ?
O11 B1 O5 K -174.0(5) . . . 4_556 ?
O6 B6 O5 B1 159.3(5) . . . . ?
O12 B6 O5 B1 -76.3(6) . . . . ?
O10 B6 O5 B1 41.2(7) . . . . ?
Na B6 O5 B1 147.0(5) 3_757 . . . ?
Na B6 O5 B1 95.4(6) . . . . ?
Cs' B6 O5 B1 -9.5(8) . . . . ?
Cs B6 O5 B1 -3.8(10) . . . . ?
O6 B6 O5 Na 12.3(5) . . . 3_757 ?
O12 B6 O5 Na 136.7(4) . . . 3_757 ?
O10 B6 O5 Na -105.8(4) . . . 3_757 ?
Na B6 O5 Na -51.6(4) . . . 3_757 ?
Cs' B6 O5 Na -156.5(5) . . . 3_757 ?
Cs B6 O5 Na -150.8(6) . . . 3_757 ?
O6 B6 O5 K -73.6(6) . . . 4_556 ?
O12 B6 O5 K 50.8(6) . . . 4_556 ?
O10 B6 O5 K 168.3(3) . . . 4_556 ?
Na B6 O5 K -85.9(3) 3_757 . . 4_556 ?
Na B6 O5 K -137.4(3) . . . 4_556 ?
Cs' B6 O5 K 117.6(4) . . . 4_556 ?
Cs B6 O5 K 123.3(5) . . . 4_556 ?
O12 B6 O6 B4 28.0(7) . . . . ?
O5 B6 O6 B4 150.0(5) . . . . ?
O10 B6 O6 B4 -92.2(6) . . . . ?
Na B6 O6 B4 163.5(5) 3_757 . . . ?
Na B6 O6 B4 -95.4(5) . . . . ?
Cs' B6 O6 B4 -38.4(6) . . . . ?
Cs B6 O6 B4 -39.6(5) . . . . ?
O12 B6 O6 Na -135.5(4) . . . 3_757 ?
O5 B6 O6 Na -13.5(5) . . . 3_757 ?
O10 B6 O6 Na 104.3(4) . . . 3_757 ?
Na B6 O6 Na 101.1(2) . . . 3_757 ?
Cs' B6 O6 Na 158.1(2) . . . 3_757 ?
Cs B6 O6 Na 156.84(17) . . . 3_757 ?
O12 B6 O6 Na 123.4(4) . . . . ?
O5 B6 O6 Na -114.5(4) . . . . ?
O10 B6 O6 Na 3.2(5) . . . . ?
Na B6 O6 Na -101.1(2) 3_757 . . . ?
Cs' B6 O6 Na 57.0(3) . . . . ?
Cs B6 O6 Na 55.8(2) . . . . ?
O8 B4 O6 B6 -30.9(7) . . . . ?
O4 B4 O6 B6 -149.6(5) . . . . ?
O3 B4 O6 B6 89.8(6) . . . . ?
Na B4 O6 B6 96.5(5) . . . . ?
Cs B4 O6 B6 25.9(12) 2_646 . . . ?
Cs' B4 O6 B6 -86.9(5) 1_545 . . . ?
Cs B4 O6 B6 -94.0(5) 1_545 . . . ?
O8 B4 O6 Na 125.6(5) . . . 3_757 ?
O4 B4 O6 Na 7.0(7) . . . 3_757 ?
O3 B4 O6 Na -113.6(5) . . . 3_757 ?
Na B4 O6 Na -106.9(4) . . . 3_757 ?
Cs B4 O6 Na -177.5(6) 2_646 . . 3_757 ?
Cs' B4 O6 Na 69.7(6) 1_545 . . 3_757 ?
Cs B4 O6 Na 62.6(6) 1_545 . . 3_757 ?
O8 B4 O6 Na -127.5(4) . . . . ?
O4 B4 O6 Na 113.9(4) . . . . ?
O3 B4 O6 Na -6.7(5) . . . . ?
Cs B4 O6 Na -70.6(9) 2_646 . . . ?
Cs' B4 O6 Na 176.6(3) 1_545 . . . ?
Cs B4 O6 Na 169.5(3) 1_545 . . . ?
O3 B5 O7 Ga 3.3(11) . . . 4_665 ?
O2 B5 O7 Ga 179.2(4) . . . 4_665 ?
Cs' B5 O7 Ga 95.4(5) 2_646 . . 4_665 ?
Na B5 O7 Ga -35.7(7) . . . 4_665 ?
Cs B5 O7 Ga 90.2(5) 2_646 . . 4_665 ?
K B5 O7 Ga -170.9(7) . . . 4_665 ?
O3 B5 O7 K 174.2(6) . . . . ?
O2 B5 O7 K -9.9(7) . . . . ?
Cs' B5 O7 K -93.6(2) 2_646 . . . ?
Na B5 O7 K 135.2(2) . . . . ?
Cs B5 O7 K -98.8(2) 2_646 . . . ?
O3 B5 O7 Cs' -92.1(7) . . . 2_646 ?
O2 B5 O7 Cs' 83.8(6) . . . 2_646 ?
Na B5 O7 Cs' -131.1(3) . . . 2_646 ?
K B5 O7 Cs' 93.6(2) . . . 2_646 ?
O3 B5 O7 Cs -86.9(7) . . . 2_646 ?
O2 B5 O7 Cs 89.0(6) . . . 2_646 ?
Na B5 O7 Cs -125.9(3) . . . 2_646 ?
K B5 O7 Cs 98.8(2) . . . 2_646 ?
O13 B2 O8 B4 -176.6(6) . . . . ?
O12 B2 O8 B4 4.5(9) . . . . ?
Cs' B2 O8 B4 72.5(6) . . . . ?
Cs B2 O8 B4 74.7(5) . . . . ?
Cs' B2 O8 B4 -117.9(5) 1_545 . . . ?
Cs B2 O8 B4 -120.7(6) 1_545 . . . ?
O13 B2 O8 Cs' -58.8(7) . . . 1_545 ?
O12 B2 O8 Cs' 122.3(5) . . . 1_545 ?
Cs' B2 O8 Cs' -169.6(3) . . . 1_545 ?
O13 B2 O8 Cs 49.2(8) . . . 2_646 ?
O12 B2 O8 Cs -129.7(5) . . . 2_646 ?
Cs B2 O8 Cs -59.5(4) . . . 2_646 ?
Cs B2 O8 Cs 105.1(4) 1_545 . . 2_646 ?
O13 B2 O8 Cs -56.0(7) . . . 1_545 ?
O12 B2 O8 Cs 125.1(5) . . . 1_545 ?
Cs B2 O8 Cs -164.62(16) . . . 1_545 ?
O13 B2 O8 Cs' 55.3(8) . . . 2_646 ?
O12 B2 O8 Cs' -123.6(6) . . . 2_646 ?
Cs' B2 O8 Cs' -55.5(5) . . . 2_646 ?
Cs' B2 O8 Cs' 114.1(4) 1_545 . . 2_646 ?
O6 B4 O8 B2 13.7(8) . . . . ?
O4 B4 O8 B2 133.0(5) . . . . ?
O3 B4 O8 B2 -108.6(6) . . . . ?
Na B4 O8 B2 -55.9(7) . . . . ?
Cs B4 O8 B2 -142.0(6) 2_646 . . . ?
Cs' B4 O8 B2 114.5(6) 1_545 . . . ?
Cs B4 O8 B2 125.5(5) 1_545 . . . ?
O6 B4 O8 Cs' -100.8(5) . . . 1_545 ?
O4 B4 O8 Cs' 18.5(6) . . . 1_545 ?
O3 B4 O8 Cs' 137.0(4) . . . 1_545 ?
Na B4 O8 Cs' -170.4(4) . . . 1_545 ?
O6 B4 O8 Cs 155.7(4) . . . 2_646 ?
O4 B4 O8 Cs -85.0(4) . . . 2_646 ?
O3 B4 O8 Cs 33.4(4) . . . 2_646 ?
Na B4 O8 Cs 86.1(5) . . . 2_646 ?
Cs B4 O8 Cs -92.51(18) 1_545 . . 2_646 ?
O6 B4 O8 Cs -111.8(4) . . . 1_545 ?
O4 B4 O8 Cs 7.5(5) . . . 1_545 ?
O3 B4 O8 Cs 125.9(3) . . . 1_545 ?
Na B4 O8 Cs 178.6(4) . . . 1_545 ?
Cs B4 O8 Cs 92.51(18) 2_646 . . 1_545 ?
O6 B4 O8 Cs' 154.5(4) . . . 2_646 ?
O4 B4 O8 Cs' -86.2(4) . . . 2_646 ?
O3 B4 O8 Cs' 32.3(4) . . . 2_646 ?
Na B4 O8 Cs' 84.9(5) . . . 2_646 ?
Cs' B4 O8 Cs' -104.7(4) 1_545 . . 2_646 ?
O4 B3 O9 Ga 158.5(5) . . . 4_655 ?
O2 B3 O9 Ga -18.8(9) . . . 4_655 ?
Cs B3 O9 Ga 110.3(4) 1_545 . . 4_655 ?
Cs' B3 O9 Ga 115.7(4) 1_545 . . 4_655 ?
O4 B3 O9 Na -28.7(8) . . . 1_545 ?
O2 B3 O9 Na 154.0(5) . . . 1_545 ?
Cs B3 O9 Na -76.9(3) 1_545 . . 1_545 ?
Cs' B3 O9 Na -71.4(3) 1_545 . . 1_545 ?
O4 B3 O9 Cs 48.2(6) . . . 1_545 ?
O2 B3 O9 Cs -129.1(6) . . . 1_545 ?
O14 B7 O10 B6 -176.5(6) . . . . ?
O11 B7 O10 B6 -0.3(10) . . . . ?
K B7 O10 B6 -75.1(17) 4_566 . . . ?
Cs' B7 O10 B6 -115.0(6) . . . . ?
Cs B7 O10 B6 -123.4(6) . . . . ?
O14 B7 O10 Na 53.4(9) . . . . ?
O11 B7 O10 Na -130.4(6) . . . . ?
K B7 O10 Na 154.7(13) 4_566 . . . ?
Cs' B7 O10 Na 114.8(4) . . . . ?
Cs B7 O10 Na 106.5(4) . . . . ?
O14 B7 O10 Cs' -61.5(8) . . . . ?
O11 B7 O10 Cs' 114.7(7) . . . . ?
K B7 O10 Cs' 39.9(16) 4_566 . . . ?
O14 B7 O10 Cs -53.1(8) . . . . ?
O11 B7 O10 Cs 123.1(6) . . . . ?
K B7 O10 Cs 48.3(16) 4_566 . . . ?
O6 B6 O10 B7 -143.4(6) . . . . ?
O12 B6 O10 B7 93.6(7) . . . . ?
O5 B6 O10 B7 -24.3(8) . . . . ?
Na B6 O10 B7 -87.9(6) 3_757 . . . ?
Na B6 O10 B7 -139.8(6) . . . . ?
Cs' B6 O10 B7 111.1(7) . . . . ?
Cs B6 O10 B7 124.6(6) . . . . ?
O6 B6 O10 Na -3.6(5) . . . . ?
O12 B6 O10 Na -126.6(4) . . . . ?
O5 B6 O10 Na 115.5(4) . . . . ?
Na B6 O10 Na 51.9(3) 3_757 . . . ?
Cs' B6 O10 Na -109.1(4) . . . . ?
Cs B6 O10 Na -95.6(2) . . . . ?
O6 B6 O10 Cs' 105.5(6) . . . . ?
O12 B6 O10 Cs' -17.5(6) . . . . ?
O5 B6 O10 Cs' -135.5(5) . . . . ?
Na B6 O10 Cs' 161.0(4) 3_757 . . . ?
Na B6 O10 Cs' 109.1(4) . . . . ?
O6 B6 O10 Cs 92.0(5) . . . . ?
O12 B6 O10 Cs -31.0(5) . . . . ?
O5 B6 O10 Cs -149.0(4) . . . . ?
Na B6 O10 Cs 147.5(2) 3_757 . . . ?
Na B6 O10 Cs 95.6(2) . . . . ?
O10 B7 O11 B1 12.3(11) . . . . ?
O14 B7 O11 B1 -171.2(6) . . . . ?
K B7 O11 B1 172.3(7) 4_566 . . . ?
Cs' B7 O11 B1 83.9(7) . . . . ?
Cs B7 O11 B1 76.9(8) . . . . ?
O10 B7 O11 K -160.0(6) . . . 4_566 ?
O14 B7 O11 K 16.5(7) . . . 4_566 ?
Cs' B7 O11 K -88.4(4) . . . 4_566 ?
Cs B7 O11 K -95.4(5) . . . 4_566 ?
O1 B1 O11 B7 -176.2(6) . . . . ?
O5 B1 O11 B7 4.4(10) . . . . ?
O1 B1 O11 K -7.6(11) . . . 4_566 ?
O5 B1 O11 K 173.0(4) . . . 4_566 ?
O13 B2 O12 B6 173.4(5) . . . . ?
O8 B2 O12 B6 -7.6(9) . . . . ?
Cs' B2 O12 B6 -98.8(6) . . . . ?
Cs B2 O12 B6 -89.8(5) . . . . ?
Cs' B2 O12 B6 64.2(8) 1_545 . . . ?
Cs B2 O12 B6 53.2(8) 1_545 . . . ?
O13 B2 O12 Cs' -87.8(6) . . . . ?
O8 B2 O12 Cs' 91.2(6) . . . . ?
Cs' B2 O12 Cs' 163.0(6) 1_545 . . . ?
O13 B2 O12 Cs -96.8(5) . . . . ?
O8 B2 O12 Cs 82.2(6) . . . . ?
Cs B2 O12 Cs 143.0(5) 1_545 . . . ?
O6 B6 O12 B2 -8.0(8) . . . . ?
O5 B6 O12 B2 -130.6(6) . . . . ?
O10 B6 O12 B2 112.2(6) . . . . ?
Na B6 O12 B2 -65.7(8) 3_757 . . . ?
Na B6 O12 B2 58.6(8) . . . . ?
Cs' B6 O12 B2 96.8(6) . . . . ?
Cs B6 O12 B2 86.0(5) . . . . ?
O6 B6 O12 Cs' -104.8(5) . . . . ?
O5 B6 O12 Cs' 132.7(5) . . . . ?
O10 B6 O12 Cs' 15.4(5) . . . . ?
Na B6 O12 Cs' -162.5(5) 3_757 . . . ?
Na B6 O12 Cs' -38.1(5) . . . . ?
O6 B6 O12 Cs -94.0(4) . . . . ?
O5 B6 O12 Cs 143.4(4) . . . . ?
O10 B6 O12 Cs 26.2(4) . . . . ?
Na B6 O12 Cs -151.7(5) 3_757 . . . ?
Na B6 O12 Cs -27.4(4) . . . . ?
O8 B2 O13 Ga -14.9(12) . . . 3_657 ?
O12 B2 O13 Ga 164.1(5) . . . 3_657 ?
Cs' B2 O13 Ga 98.1(7) . . . 3_657 ?
Cs B2 O13 Ga 88.1(7) . . . 3_657 ?
Cs' B2 O13 Ga -61.3(7) 1_545 . . 3_657 ?
Cs B2 O13 Ga -53.8(7) 1_545 . . 3_657 ?
O8 B2 O13 Cs' 46.4(6) . . . 1_545 ?
O12 B2 O13 Cs' -134.6(6) . . . 1_545 ?
Cs' B2 O13 Cs' 159.4(5) . . . 1_545 ?
O10 B7 O14 Na -111.8(8) . . . 3_767 ?
O11 B7 O14 Na 71.7(10) . . . 3_767 ?
K B7 O14 Na 86.9(6) 4_566 . . 3_767 ?
Cs' B7 O14 Na -160.0(6) . . . 3_767 ?
Cs B7 O14 Na -150.1(6) . . . 3_767 ?
O10 B7 O14 K 161.3(7) . . . 4_566 ?
O11 B7 O14 K -15.1(7) . . . 4_566 ?
Cs' B7 O14 K 113.1(3) . . . 4_566 ?
Cs B7 O14 K 123.07(17) . . . 4_566 ?
O10 B7 O14 Cs' 48.2(7) . . . . ?
O11 B7 O14 Cs' -128.2(7) . . . . ?
K B7 O14 Cs' -113.1(3) 4_566 . . . ?

_refine_diff_density_max         1.766
_refine_diff_density_min         -1.657
_refine_diff_density_rms         0.198



####################################################################### 
# 
# 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_A
_audit_block_doi                 10.5517/ccdc.csd.cc2c9d69
_database_code_depnum_ccdc_archive 'CCDC 2183770'
loop_
_audit_author_name
_audit_author_address
YazhuoDong
;BeijingInstiitete of Technology
China
;
_audit_update_record             
;
2022-09-09 deposited with the CCDC.	2022-10-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Al B7 H3 K2.5 Na0.5 O15'
_chemical_formula_sum            'H3 Al B7 K2.50 Na0.50 O15'
_chemical_formula_weight         454.92

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.0328(5)
_cell_length_b                   10.1025(8)
_cell_length_c                   10.5133(9)
_cell_angle_alpha                102.480(7)
_cell_angle_beta                 102.285(6)
_cell_angle_gamma                99.917(6)
_cell_volume                     693.72(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2400
_cell_measurement_theta_min      4.1070
_cell_measurement_theta_max      29.2260

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.178
_exptl_crystal_F_000             448
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    0.994
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            5677
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         3.753
_diffrn_reflns_theta_max         24.989
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.966
_reflns_number_total             2435
_reflns_number_gt                2155
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0700P)²+2.3786P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.034(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2435
_refine_ls_number_parameters     246
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0461
_refine_ls_wR_factor_ref         0.1425
_refine_ls_wR_factor_gt          0.1387
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Al Al 0.28041(16) 0.20281(11) 0.15210(11) 0.0103(3) Uani 1 1 d . . . . .
K1 K 0.6900(3) 0.3845(2) 0.4528(2) 0.0241(5) Uani 0.5 1 d . . P . .
K2 K 0.79920(16) 0.57997(11) 0.11564(10) 0.0300(3) Uani 1 1 d . . . . .
K3 K 0.23983(13) 1.02508(9) -0.19583(9) 0.0202(3) Uani 1 1 d . . . . .
Na Na 0.5000 1.0000 0.5000 0.0333(7) Uani 1 2 d S . P . .
B1 B 0.0853(6) 0.8061(5) 0.0278(4) 0.0134(9) Uani 1 1 d . . . . .
B2 B 0.3903(6) 0.8025(5) -0.0433(4) 0.0149(9) Uani 1 1 d . . . . .
B3 B 0.3543(6) 0.7157(5) 0.1580(5) 0.0154(9) Uani 1 1 d . . . . .
B4 B 0.4008(7) 0.5106(5) 0.2437(5) 0.0150(9) Uani 1 1 d . . . . .
B5 B 0.6198(6) 0.7436(5) 0.3696(4) 0.0140(9) Uani 1 1 d . . . . .
B6 B 0.8083(6) 0.8494(5) 0.6126(4) 0.0124(9) Uani 1 1 d . . . . .
B7 B 0.9898(7) 0.8274(5) 0.4420(5) 0.0164(9) Uani 1 1 d . . . . .
O1 O 0.4821(4) 0.7981(3) 0.2872(3) 0.0136(6) Uani 1 1 d . . . . .
O2 O 0.6351(4) 0.8072(3) 0.5137(3) 0.0148(6) Uani 1 1 d . . . . .
O3 O 0.8216(4) 0.7770(3) 0.3429(3) 0.0162(6) Uani 1 1 d . . . . .
O4 O 0.8177(4) 0.8871(3) 0.7447(3) 0.0155(6) Uani 1 1 d . . . . .
O5 O -0.1046(4) 0.8199(3) 0.0013(3) 0.0147(6) Uani 1 1 d . . . . .
O6 O 0.9903(4) 0.8583(3) 0.5763(3) 0.0204(7) Uani 1 1 d . . . . .
O7 O 0.4517(4) 0.7330(3) 0.0477(3) 0.0191(7) Uani 1 1 d . U . . .
O8 O 0.5056(4) 0.8481(3) -0.1198(3) 0.0201(7) Uani 1 1 d . . . . .
O9 O 0.2016(4) 0.8323(3) -0.0589(3) 0.0209(7) Uani 1 1 d . . . . .
O10 O 0.1615(4) 0.7599(3) 0.1357(3) 0.0185(7) Uani 1 1 d . . . . .
O11 O 0.3054(5) 0.5661(3) 0.1489(3) 0.0234(7) Uani 1 1 d . . . . .
O12 O 1.1746(4) 0.8540(4) 0.4183(3) 0.0252(7) Uani 1 1 d . . . . .
O13 O 0.5599(4) 0.5914(3) 0.3451(3) 0.0240(7) Uani 1 1 d . . . . .
O14 O 0.3431(5) 0.3756(3) 0.2403(3) 0.0262(7) Uani 1 1 d . . . . .
O1W O 0.9723(6) 0.4525(5) 0.3138(5) 0.0549(11) Uani 1 1 d . U . . .
H1WA H 1.0040 0.3793 0.2760 0.066 Uiso 1 1 d R U . . .
H1WB H 0.8900 0.4507 0.3693 0.066 Uiso 1 1 d R U . . .
H12 H 1.150(8) 0.828(6) 0.339(7) 0.034(16) Uiso 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
Al O14 1.721(3) . ?
Al O4 1.735(3) 2_666 ?
Al O8 1.747(3) 2_665 ?
Al O5 1.754(3) 2_565 ?
Al K3 3.6367(14) 1_545 ?
Al K1 3.669(2) . ?
Al K2 3.9337(15) 2_665 ?
K1 O13 2.781(3) . ?
K1 O1W 2.784(5) . ?
K1 O2 2.866(3) 2_666 ?
K1 O14 2.910(4) . ?
K1 O1W 2.967(5) 2_766 ?
K1 O13 3.029(4) 2_666 ?
K1 O12 3.193(4) 2_766 ?
K1 B4 3.285(5) . ?
K1 B4 3.369(5) 2_666 ?
K1 B5 3.423(5) 2_666 ?
K1 B7 3.534(5) 2_766 ?
K1 H1WB 1.9114 . ?
K2 O3 2.715(3) . ?
K2 O11 2.727(3) 2_665 ?
K2 O10 2.802(3) 1_655 ?
K2 O1W 2.846(5) . ?
K2 O5 2.970(3) 1_655 ?
K2 O7 3.148(3) . ?
K2 B1 3.199(4) 1_655 ?
K2 O13 3.215(3) . ?
K2 O7 3.241(3) 2_665 ?
K2 B4 3.390(4) . ?
K2 B5 3.420(5) . ?
K2 B3 3.496(5) 2_665 ?
K3 O6 2.666(3) 1_454 ?
K3 O9 2.671(3) . ?
K3 O5 2.738(3) 2_575 ?
K3 O3 2.815(3) 2_675 ?
K3 O7 2.863(3) 2_675 ?
K3 O1 2.877(3) 2_675 ?
K3 O8 2.909(3) . ?
K3 O4 2.925(3) 1_454 ?
K3 B2 3.144(4) 2_675 ?
K3 B2 3.225(5) . ?
K3 B6 3.227(4) 1_454 ?
K3 O8 3.271(3) 2_675 ?
Na O2 2.327(3) . ?
Na O2 2.327(3) 2_676 ?
Na O12 2.367(3) 2_776 ?
Na O12 2.367(3) 1_455 ?
Na O1 2.646(3) . ?
Na O1 2.646(3) 2_676 ?
Na B5 3.001(5) . ?
Na B5 3.001(5) 2_676 ?
Na B6 3.040(4) . ?
Na B6 3.040(4) 2_676 ?
Na K3 3.9923(9) 1_556 ?
Na K3 3.9923(9) 2_675 ?
B1 O5 1.343(5) . ?
B1 O10 1.359(5) . ?
B1 O9 1.385(5) . ?
B1 K2 3.199(4) 1_455 ?
B2 O7 1.347(5) . ?
B2 O8 1.351(5) . ?
B2 O9 1.394(5) . ?
B2 K3 3.144(4) 2_675 ?
B3 O1 1.442(5) . ?
B3 O11 1.469(5) . ?
B3 O10 1.487(5) . ?
B3 O7 1.492(5) . ?
B3 K3 3.414(4) 2_675 ?
B3 K2 3.496(5) 2_665 ?
B4 O14 1.344(6) . ?
B4 O11 1.358(5) . ?
B4 O13 1.362(5) . ?
B4 K1 3.369(5) 2_666 ?
B5 O1 1.422(5) . ?
B5 O13 1.473(5) . ?
B5 O2 1.485(5) . ?
B5 O3 1.500(5) . ?
B5 K3 3.404(5) 2_675 ?
B5 K1 3.423(5) 2_666 ?
B6 O4 1.342(5) . ?
B6 O2 1.355(5) . ?
B6 O6 1.406(5) . ?
B6 K3 3.227(4) 1_656 ?
B7 O3 1.335(5) . ?
B7 O12 1.367(5) . ?
B7 O6 1.377(5) . ?
B7 K3 3.500(5) 2_675 ?
B7 K1 3.534(5) 2_766 ?
O1 K3 2.877(3) 2_675 ?
O2 K1 2.866(3) 2_666 ?
O3 K3 2.815(3) 2_675 ?
O4 Al 1.735(3) 2_666 ?
O4 K3 2.925(3) 1_656 ?
O5 Al 1.754(3) 2_565 ?
O5 K3 2.738(3) 2_575 ?
O5 K2 2.970(3) 1_455 ?
O6 K3 2.666(3) 1_656 ?
O7 K3 2.863(3) 2_675 ?
O7 K2 3.241(3) 2_665 ?
O8 Al 1.747(3) 2_665 ?
O8 K3 3.271(3) 2_675 ?
O10 K2 2.802(3) 1_455 ?
O11 K2 2.727(3) 2_665 ?
O12 Na 2.367(3) 1_655 ?
O12 K1 3.193(4) 2_766 ?
O12 H12 0.79(6) . ?
O13 K1 3.029(4) 2_666 ?
O1W K1 2.967(5) 2_766 ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.9054 . ?

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
O14 Al O4 105.54(15) . 2_666 ?
O14 Al O8 109.34(16) . 2_665 ?
O4 Al O8 111.48(14) 2_666 2_665 ?
O14 Al O5 109.41(15) . 2_565 ?
O4 Al O5 111.66(14) 2_666 2_565 ?
O8 Al O5 109.32(14) 2_665 2_565 ?
O14 Al K3 133.28(12) . 1_545 ?
O4 Al K3 120.15(10) 2_666 1_545 ?
O8 Al K3 63.97(10) 2_665 1_545 ?
O5 Al K3 46.35(9) 2_565 1_545 ?
O14 Al K1 50.98(11) . . ?
O4 Al K1 86.09(10) 2_666 . ?
O8 Al K1 73.89(11) 2_665 . ?
O5 Al K1 157.88(11) 2_565 . ?
K3 Al K1 135.95(4) 1_545 . ?
O14 Al K2 73.08(11) . 2_665 ?
O4 Al K2 148.86(10) 2_666 2_665 ?
O8 Al K2 97.72(10) 2_665 2_665 ?
O5 Al K2 45.15(9) 2_565 2_665 ?
K3 Al K2 63.04(3) 1_545 2_665 ?
K1 Al K2 113.17(4) . 2_665 ?
O13 K1 O1W 77.37(13) . . ?
O13 K1 O2 111.74(10) . 2_666 ?
O1W K1 O2 150.95(14) . 2_666 ?
O13 K1 O14 48.10(9) . . ?
O1W K1 O14 95.88(12) . . ?
O2 K1 O14 74.10(9) 2_666 . ?
O13 K1 O1W 102.32(13) . 2_766 ?
O1W K1 O1W 81.14(14) . 2_766 ?
O2 K1 O1W 121.16(12) 2_666 2_766 ?
O14 K1 O1W 149.64(13) . 2_766 ?
O13 K1 O13 93.59(10) . 2_666 ?
O1W K1 O13 161.28(14) . 2_666 ?
O2 K1 O13 47.72(8) 2_666 2_666 ?
O14 K1 O13 89.86(10) . 2_666 ?
O1W K1 O13 84.91(11) 2_766 2_666 ?
O13 K1 O12 177.82(11) . 2_766 ?
O1W K1 O12 104.81(12) . 2_766 ?
O2 K1 O12 66.35(8) 2_666 2_766 ?
O14 K1 O12 131.12(11) . 2_766 ?
O1W K1 O12 78.15(12) 2_766 2_766 ?
O13 K1 O12 84.32(9) 2_666 2_766 ?
O13 K1 B4 24.17(10) . . ?
O1W K1 B4 84.46(13) . . ?
O2 K1 B4 94.27(11) 2_666 . ?
O14 K1 B4 24.10(10) . . ?
O1W K1 B4 126.45(14) 2_766 . ?
O13 K1 B4 93.95(11) 2_666 . ?
O12 K1 B4 155.18(12) 2_766 . ?
O13 K1 B4 96.92(12) . 2_666 ?
O1W K1 B4 139.93(14) . 2_666 ?
O2 K1 B4 68.18(10) 2_666 2_666 ?
O14 K1 B4 109.68(11) . 2_666 ?
O1W K1 B4 61.11(12) 2_766 2_666 ?
O13 K1 B4 23.84(9) 2_666 2_666 ?
O12 K1 B4 81.42(11) 2_766 2_666 ?
B4 K1 B4 106.50(11) . 2_666 ?
O13 K1 B5 112.02(11) . 2_666 ?
O1W K1 B5 170.50(14) . 2_666 ?
O2 K1 B5 25.40(9) 2_666 2_666 ?
O14 K1 B5 89.84(11) . 2_666 ?
O1W K1 B5 97.71(12) 2_766 2_666 ?
O13 K1 B5 25.46(9) 2_666 2_666 ?
O12 K1 B5 65.80(10) 2_766 2_666 ?
B4 K1 B5 103.56(12) . 2_666 ?
B4 K1 B5 43.02(11) 2_666 2_666 ?
O13 K1 B7 159.38(12) . 2_766 ?
O1W K1 B7 82.75(13) . 2_766 ?
O2 K1 B7 88.38(10) 2_666 2_766 ?
O14 K1 B7 141.07(12) . 2_766 ?
O1W K1 B7 68.89(12) 2_766 2_766 ?
O13 K1 B7 103.80(10) 2_666 2_766 ?
O12 K1 B7 22.72(9) 2_766 2_766 ?
B4 K1 B7 158.02(13) . 2_766 ?
B4 K1 B7 94.75(12) 2_666 2_766 ?
B5 K1 B7 88.03(11) 2_666 2_766 ?
O13 K1 Al 74.08(7) . . ?
O1W K1 Al 95.95(11) . . ?
O2 K1 Al 62.60(7) 2_666 . ?
O14 K1 Al 27.35(6) . . ?
O1W K1 Al 175.85(11) 2_766 . ?
O13 K1 Al 97.27(7) 2_666 . ?
O12 K1 Al 105.53(8) 2_766 . ?
B4 K1 Al 50.01(9) . . ?
B4 K1 Al 120.93(9) 2_666 . ?
B5 K1 Al 85.64(9) 2_666 . ?
B7 K1 Al 113.81(10) 2_766 . ?
O13 K1 H1WB 74.3 . . ?
O1W K1 H1WB 6.0 . . ?
O2 K1 H1WB 156.9 2_666 . ?
O14 K1 H1WB 97.3 . . ?
O1W K1 H1WB 76.9 2_766 . ?
O13 K1 H1WB 155.3 2_666 . ?
O12 K1 H1WB 107.8 2_766 . ?
B4 K1 H1WB 83.7 . . ?
B4 K1 H1WB 134.5 2_666 . ?
B5 K1 H1WB 172.7 2_666 . ?
B7 K1 H1WB 85.3 2_766 . ?
Al K1 H1WB 99.9 . . ?
O3 K2 O11 160.53(10) . 2_665 ?
O3 K2 O10 80.40(9) . 1_655 ?
O11 K2 O10 101.81(9) 2_665 1_655 ?
O3 K2 O1W 80.30(11) . . ?
O11 K2 O1W 118.53(12) 2_665 . ?
O10 K2 O1W 94.02(11) 1_655 . ?
O3 K2 O5 84.85(8) . 1_655 ?
O11 K2 O5 82.65(9) 2_665 1_655 ?
O10 K2 O5 47.85(8) 1_655 1_655 ?
O1W K2 O5 141.07(11) . 1_655 ?
O3 K2 O7 72.59(8) . . ?
O11 K2 O7 88.52(9) 2_665 . ?
O10 K2 O7 108.34(9) 1_655 . ?
O1W K2 O7 140.84(11) . . ?
O5 K2 O7 64.36(7) 1_655 . ?
O3 K2 B1 89.13(10) . 1_655 ?
O11 K2 B1 85.77(10) 2_665 1_655 ?
O10 K2 B1 25.07(10) 1_655 1_655 ?
O1W K2 B1 118.79(12) . 1_655 ?
O5 K2 B1 24.79(10) 1_655 1_655 ?
O7 K2 B1 88.95(10) . 1_655 ?
O3 K2 O13 46.77(8) . . ?
O11 K2 O13 131.72(9) 2_665 . ?
O10 K2 O13 125.86(8) 1_655 . ?
O1W K2 O13 69.73(10) . . ?
O5 K2 O13 122.15(8) 1_655 . ?
O7 K2 O13 71.11(7) . . ?
B1 K2 O13 134.87(10) 1_655 . ?
O3 K2 O7 139.18(8) . 2_665 ?
O11 K2 O7 46.08(8) 2_665 2_665 ?
O10 K2 O7 138.84(8) 1_655 2_665 ?
O1W K2 O7 85.08(11) . 2_665 ?
O5 K2 O7 127.16(8) 1_655 2_665 ?
O7 K2 O7 97.24(8) . 2_665 ?
B1 K2 O7 130.92(10) 1_655 2_665 ?
O13 K2 O7 92.41(7) . 2_665 ?
O3 K2 B4 67.51(10) . . ?
O11 K2 B4 108.22(11) 2_665 . ?
O10 K2 B4 147.90(10) 1_655 . ?
O1W K2 B4 81.61(12) . . ?
O5 K2 B4 124.91(10) 1_655 . ?
O7 K2 B4 62.25(9) . . ?
B1 K2 B4 146.74(12) 1_655 . ?
O13 K2 B4 23.62(9) . . ?
O7 K2 B4 72.79(9) 2_665 . ?
O3 K2 B5 25.11(9) . . ?
O11 K2 B5 143.86(11) 2_665 . ?
O10 K2 B5 105.07(10) 1_655 . ?
O1W K2 B5 83.30(12) . . ?
O5 K2 B5 97.91(10) 1_655 . ?
O7 K2 B5 60.35(9) . . ?
B1 K2 B5 109.66(11) 1_655 . ?
O13 K2 B5 25.41(9) . . ?
O7 K2 B5 115.62(9) 2_665 . ?
B4 K2 B5 42.91(11) . . ?
O3 K2 B3 163.79(10) . 2_665 ?
O11 K2 B3 23.40(10) 2_665 2_665 ?
O10 K2 B3 115.81(10) 1_655 2_665 ?
O1W K2 B3 97.53(12) . 2_665 ?
O5 K2 B3 105.91(9) 1_655 2_665 ?
O7 K2 B3 100.77(10) . 2_665 ?
B1 K2 B3 105.75(11) 1_655 2_665 ?
O13 K2 B3 117.33(9) . 2_665 ?
O7 K2 B3 25.24(8) 2_665 2_665 ?
B4 K2 B3 96.29(11) . 2_665 ?
B5 K2 B3 138.89(11) . 2_665 ?
O6 K3 O9 93.60(10) 1_454 . ?
O6 K3 O5 121.73(9) 1_454 2_575 ?
O9 K3 O5 84.62(9) . 2_575 ?
O6 K3 O3 80.43(9) 1_454 2_675 ?
O9 K3 O3 165.68(9) . 2_675 ?
O5 K3 O3 87.48(8) 2_575 2_675 ?
O6 K3 O7 152.47(9) 1_454 2_675 ?
O9 K3 O7 112.62(9) . 2_675 ?
O5 K3 O7 71.19(8) 2_575 2_675 ?
O3 K3 O7 75.80(8) 2_675 2_675 ?
O6 K3 O1 103.72(8) 1_454 2_675 ?
O9 K3 O1 144.60(8) . 2_675 ?
O5 K3 O1 110.60(8) 2_575 2_675 ?
O3 K3 O1 49.69(8) 2_675 2_675 ?
O7 K3 O1 49.72(8) 2_675 2_675 ?
O6 K3 O8 101.63(10) 1_454 . ?
O9 K3 O8 49.55(8) . . ?
O5 K3 O8 119.08(8) 2_575 . ?
O3 K3 O8 144.30(8) 2_675 . ?
O7 K3 O8 89.99(8) 2_675 . ?
O1 K3 O8 96.25(8) 2_675 . ?
O6 K3 O4 49.37(8) 1_454 1_454 ?
O9 K3 O4 70.60(8) . 1_454 ?
O5 K3 O4 76.08(8) 2_575 1_454 ?
O3 K3 O4 95.91(8) 2_675 1_454 ?
O7 K3 O4 146.46(9) 2_675 1_454 ?
O1 K3 O4 142.84(8) 2_675 1_454 ?
O8 K3 O4 112.60(8) . 1_454 ?
O6 K3 B2 166.80(11) 1_454 2_675 ?
O9 K3 B2 87.64(11) . 2_675 ?
O5 K3 B2 71.47(10) 2_575 2_675 ?
O3 K3 B2 101.16(10) 2_675 2_675 ?
O7 K3 B2 25.37(10) 2_675 2_675 ?
O1 K3 B2 68.79(10) 2_675 2_675 ?
O8 K3 B2 69.35(11) . 2_675 ?
O4 K3 B2 142.35(10) 1_454 2_675 ?
O6 K3 B2 101.57(11) 1_454 . ?
O9 K3 B2 25.18(10) . . ?
O5 K3 B2 100.35(10) 2_575 . ?
O3 K3 B2 169.00(10) 2_675 . ?
O7 K3 B2 99.29(10) 2_675 . ?
O1 K3 B2 119.67(10) 2_675 . ?
O8 K3 B2 24.76(10) . . ?
O4 K3 B2 93.49(10) 1_454 . ?
B2 K3 B2 74.43(13) 2_675 . ?
O6 K3 B6 25.38(10) 1_454 1_454 ?
O9 K3 B6 84.74(10) . 1_454 ?
O5 K3 B6 97.19(10) 2_575 1_454 ?
O3 K3 B6 84.42(10) 2_675 1_454 ?
O7 K3 B6 157.26(10) 2_675 1_454 ?
O1 K3 B6 122.67(9) 2_675 1_454 ?
O8 K3 B6 112.73(10) . 1_454 ?
O4 K3 B6 24.57(9) 1_454 1_454 ?
B2 K3 B6 166.92(12) 2_675 1_454 ?
B2 K3 B6 102.07(11) . 1_454 ?
O6 K3 O8 162.58(9) 1_454 2_675 ?
O9 K3 O8 69.22(9) . 2_675 ?
O5 K3 O8 55.91(7) 2_575 2_675 ?
O3 K3 O8 115.57(8) 2_675 2_675 ?
O7 K3 O8 44.83(7) 2_675 2_675 ?
O1 K3 O8 92.49(7) 2_675 2_675 ?
O8 K3 O8 69.81(10) . 2_675 ?
O4 K3 O8 118.64(7) 1_454 2_675 ?
B2 K3 O8 24.20(10) 2_675 2_675 ?
B2 K3 O8 64.13(10) . 2_675 ?
B6 K3 O8 143.02(9) 1_454 2_675 ?
O2 Na O2 180.0 . 2_676 ?
O2 Na O12 89.75(11) . 2_776 ?
O2 Na O12 90.25(11) 2_676 2_776 ?
O2 Na O12 90.25(11) . 1_455 ?
O2 Na O12 89.75(11) 2_676 1_455 ?
O12 Na O12 180.00(16) 2_776 1_455 ?
O2 Na O1 56.47(8) . . ?
O2 Na O1 123.53(8) 2_676 . ?
O12 Na O1 110.34(10) 2_776 . ?
O12 Na O1 69.66(10) 1_455 . ?
O2 Na O1 123.53(8) . 2_676 ?
O2 Na O1 56.47(8) 2_676 2_676 ?
O12 Na O1 69.66(10) 2_776 2_676 ?
O12 Na O1 110.34(10) 1_455 2_676 ?
O1 Na O1 180.0 . 2_676 ?
O2 Na B5 29.01(11) . . ?
O2 Na B5 150.99(11) 2_676 . ?
O12 Na B5 96.71(12) 2_776 . ?
O12 Na B5 83.29(12) 1_455 . ?
O1 Na B5 28.28(10) . . ?
O1 Na B5 151.72(10) 2_676 . ?
O2 Na B5 150.99(11) . 2_676 ?
O2 Na B5 29.01(11) 2_676 2_676 ?
O12 Na B5 83.29(12) 2_776 2_676 ?
O12 Na B5 96.71(12) 1_455 2_676 ?
O1 Na B5 151.72(10) . 2_676 ?
O1 Na B5 28.28(10) 2_676 2_676 ?
B5 Na B5 180.0 . 2_676 ?
O2 Na B6 25.04(11) . . ?
O2 Na B6 154.96(11) 2_676 . ?
O12 Na B6 67.82(12) 2_776 . ?
O12 Na B6 112.18(12) 1_455 . ?
O1 Na B6 77.35(10) . . ?
O1 Na B6 102.65(10) 2_676 . ?
B5 Na B6 49.17(12) . . ?
B5 Na B6 130.83(12) 2_676 . ?
O2 Na B6 154.96(11) . 2_676 ?
O2 Na B6 25.04(11) 2_676 2_676 ?
O12 Na B6 112.18(12) 2_776 2_676 ?
O12 Na B6 67.82(12) 1_455 2_676 ?
O1 Na B6 102.65(10) . 2_676 ?
O1 Na B6 77.35(10) 2_676 2_676 ?
B5 Na B6 130.83(12) . 2_676 ?
B5 Na B6 49.17(12) 2_676 2_676 ?
B6 Na B6 180.0 . 2_676 ?
O2 Na K3 100.42(6) . 1_556 ?
O2 Na K3 79.58(7) 2_676 1_556 ?
O12 Na K3 108.46(8) 2_776 1_556 ?
O12 Na K3 71.54(8) 1_455 1_556 ?
O1 Na K3 133.94(6) . 1_556 ?
O1 Na K3 46.06(6) 2_676 1_556 ?
B5 Na K3 123.88(8) . 1_556 ?
B5 Na K3 56.12(9) 2_676 1_556 ?
B6 Na K3 95.53(8) . 1_556 ?
B6 Na K3 84.47(8) 2_676 1_556 ?
O2 Na K3 79.58(6) . 2_675 ?
O2 Na K3 100.42(7) 2_676 2_675 ?
O12 Na K3 71.54(8) 2_776 2_675 ?
O12 Na K3 108.46(8) 1_455 2_675 ?
O1 Na K3 46.06(6) . 2_675 ?
O1 Na K3 133.94(6) 2_676 2_675 ?
B5 Na K3 56.12(8) . 2_675 ?
B5 Na K3 123.88(9) 2_676 2_675 ?
B6 Na K3 84.47(8) . 2_675 ?
B6 Na K3 95.53(8) 2_676 2_675 ?
K3 Na K3 180.0 1_556 2_675 ?
O5 B1 O10 120.5(4) . . ?
O5 B1 O9 119.9(4) . . ?
O10 B1 O9 119.6(4) . . ?
O5 B1 K2 68.0(2) . 1_455 ?
O10 B1 K2 60.9(2) . 1_455 ?
O9 B1 K2 147.4(3) . 1_455 ?
O7 B2 O8 122.9(4) . . ?
O7 B2 O9 119.5(4) . . ?
O8 B2 O9 117.6(4) . . ?
O7 B2 K3 65.6(2) . 2_675 ?
O8 B2 K3 83.2(2) . 2_675 ?
O9 B2 K3 122.8(3) . 2_675 ?
O7 B2 K3 165.8(3) . . ?
O8 B2 K3 64.4(2) . . ?
O9 B2 K3 54.6(2) . . ?
K3 B2 K3 105.57(13) 2_675 . ?
O1 B3 O11 113.2(3) . . ?
O1 B3 O10 108.9(3) . . ?
O11 B3 O10 106.6(3) . . ?
O1 B3 O7 110.6(3) . . ?
O11 B3 O7 107.1(3) . . ?
O10 B3 O7 110.3(3) . . ?
O1 B3 K3 56.35(18) . 2_675 ?
O11 B3 K3 139.4(3) . 2_675 ?
O10 B3 K3 113.9(2) . 2_675 ?
O7 B3 K3 56.08(18) . 2_675 ?
O1 B3 K2 152.9(3) . 2_665 ?
O11 B3 K2 47.49(18) . 2_665 ?
O10 B3 K2 96.3(2) . 2_665 ?
O7 B3 K2 67.8(2) . 2_665 ?
K3 B3 K2 122.26(13) 2_675 2_665 ?
O14 B4 O11 121.6(4) . . ?
O14 B4 O13 118.2(4) . . ?
O11 B4 O13 120.3(4) . . ?
O14 B4 K1 62.1(2) . . ?
O11 B4 K1 171.2(3) . . ?
O13 B4 K1 56.7(2) . . ?
O14 B4 K1 92.0(3) . 2_666 ?
O11 B4 K1 113.3(3) . 2_666 ?
O13 B4 K1 64.0(2) . 2_666 ?
K1 B4 K1 73.50(11) . 2_666 ?
O14 B4 K2 113.6(3) . . ?
O11 B4 K2 85.3(2) . . ?
O13 B4 K2 71.0(2) . . ?
K1 B4 K2 85.98(11) . . ?
K1 B4 K2 134.73(14) 2_666 . ?
O1 B5 O13 113.0(3) . . ?
O1 B5 O2 109.2(3) . . ?
O13 B5 O2 107.8(3) . . ?
O1 B5 O3 109.9(3) . . ?
O13 B5 O3 107.5(3) . . ?
O2 B5 O3 109.4(3) . . ?
O1 B5 Na 61.84(19) . . ?
O13 B5 Na 139.1(3) . . ?
O2 B5 Na 49.44(17) . . ?
O3 B5 Na 112.2(2) . . ?
O1 B5 K3 56.59(18) . 2_675 ?
O13 B5 K3 137.5(3) . 2_675 ?
O2 B5 K3 114.5(2) . 2_675 ?
O3 B5 K3 54.63(18) . 2_675 ?
Na B5 K3 76.83(10) . 2_675 ?
O1 B5 K2 96.2(2) . . ?
O13 B5 K2 69.5(2) . . ?
O2 B5 K2 152.7(3) . . ?
O3 B5 K2 50.17(17) . . ?
Na B5 K2 147.66(15) . . ?
K3 B5 K2 71.07(9) 2_675 . ?
O1 B5 K1 98.3(2) . 2_666 ?
O13 B5 K1 62.2(2) . 2_666 ?
O2 B5 K1 55.87(18) . 2_666 ?
O3 B5 K1 151.6(3) . 2_666 ?
Na B5 K1 77.98(10) . 2_666 ?
K3 B5 K1 150.91(15) 2_675 2_666 ?
K2 B5 K1 131.47(14) . 2_666 ?
O4 B6 O2 123.9(4) . . ?
O4 B6 O6 117.3(3) . . ?
O2 B6 O6 118.8(3) . . ?
O4 B6 Na 101.1(2) . . ?
O2 B6 Na 46.62(18) . . ?
O6 B6 Na 120.9(3) . . ?
O4 B6 K3 65.0(2) . 1_656 ?
O2 B6 K3 162.6(3) . 1_656 ?
O6 B6 K3 54.37(19) . 1_656 ?
Na B6 K3 120.05(14) . 1_656 ?
O3 B7 O12 122.7(4) . . ?
O3 B7 O6 122.5(4) . . ?
O12 B7 O6 114.7(4) . . ?
O3 B7 K3 49.2(2) . 2_675 ?
O12 B7 K3 95.4(3) . 2_675 ?
O6 B7 K3 127.0(3) . 2_675 ?
O3 B7 K1 122.7(3) . 2_766 ?
O12 B7 K1 64.5(2) . 2_766 ?
O6 B7 K1 82.0(2) . 2_766 ?
K3 B7 K1 150.75(15) 2_675 2_766 ?
B5 O1 B3 122.3(3) . . ?
B5 O1 Na 89.9(2) . . ?
B3 O1 Na 143.1(2) . . ?
B5 O1 K3 99.0(2) . 2_675 ?
B3 O1 K3 99.0(2) . 2_675 ?
Na O1 K3 92.48(8) . 2_675 ?
B6 O2 B5 124.4(3) . . ?
B6 O2 Na 108.3(2) . . ?
B5 O2 Na 101.6(2) . . ?
B6 O2 K1 118.5(2) . 2_666 ?
B5 O2 K1 98.7(2) . 2_666 ?
Na O2 K1 102.17(10) . 2_666 ?
B7 O3 B5 122.5(3) . . ?
B7 O3 K2 122.0(2) . . ?
B5 O3 K2 104.7(2) . . ?
B7 O3 K3 109.8(3) . 2_675 ?
B5 O3 K3 99.6(2) . 2_675 ?
K2 O3 K3 91.61(8) . 2_675 ?
B6 O4 Al 131.5(3) . 2_666 ?
B6 O4 K3 90.4(2) . 1_656 ?
Al O4 K3 123.55(13) 2_666 1_656 ?
B1 O5 Al 131.1(3) . 2_565 ?
B1 O5 K3 120.4(2) . 2_575 ?
Al O5 K3 106.04(12) 2_565 2_575 ?
B1 O5 K2 87.2(2) . 1_455 ?
Al O5 K2 110.10(12) 2_565 1_455 ?
K3 O5 K2 87.93(8) 2_575 1_455 ?
B7 O6 B6 119.8(3) . . ?
B7 O6 K3 135.4(3) . 1_656 ?
B6 O6 K3 100.3(2) . 1_656 ?
B2 O7 B3 123.5(3) . . ?
B2 O7 K3 89.1(2) . 2_675 ?
B3 O7 K3 98.3(2) . 2_675 ?
B2 O7 K2 137.0(2) . . ?
B3 O7 K2 99.4(2) . . ?
K3 O7 K2 82.43(7) 2_675 . ?
B2 O7 K2 99.8(2) . 2_665 ?
B3 O7 K2 87.0(2) . 2_665 ?
K3 O7 K2 164.91(11) 2_675 2_665 ?
K2 O7 K2 82.76(8) . 2_665 ?
B2 O8 Al 128.5(3) . 2_665 ?
B2 O8 K3 90.8(2) . . ?
Al O8 K3 140.57(14) 2_665 . ?
B2 O8 K3 72.6(2) . 2_675 ?
Al O8 K3 87.35(11) 2_665 2_675 ?
K3 O8 K3 110.19(10) . 2_675 ?
B1 O9 B2 121.1(3) . . ?
B1 O9 K3 133.2(3) . . ?
B2 O9 K3 100.2(2) . . ?
B1 O10 B3 124.0(3) . . ?
B1 O10 K2 94.1(2) . 1_455 ?
B3 O10 K2 122.0(2) . 1_455 ?
B4 O11 B3 122.2(3) . . ?
B4 O11 K2 119.2(3) . 2_665 ?
B3 O11 K2 109.1(2) . 2_665 ?
B7 O12 Na 144.5(3) . 1_655 ?
B7 O12 K1 92.8(3) . 2_766 ?
Na O12 K1 92.44(11) 1_655 2_766 ?
B7 O12 H12 102(4) . . ?
Na O12 H12 109(4) 1_655 . ?
K1 O12 H12 109(4) 2_766 . ?
B4 O13 B5 122.9(3) . . ?
B4 O13 K1 99.1(2) . . ?
B5 O13 K1 137.9(2) . . ?
B4 O13 K1 92.2(2) . 2_666 ?
B5 O13 K1 92.4(2) . 2_666 ?
K1 O13 K1 86.41(10) . 2_666 ?
B4 O13 K2 85.4(2) . . ?
B5 O13 K2 85.1(2) . . ?
K1 O13 K2 98.52(10) . . ?
K1 O13 K2 174.79(11) 2_666 . ?
B4 O14 Al 149.6(3) . . ?
B4 O14 K1 93.8(2) . . ?
Al O14 K1 101.67(15) . . ?
K1 O1W K2 107.90(15) . . ?
K1 O1W K1 98.86(14) . 2_766 ?
K2 O1W K1 120.73(17) . 2_766 ?
K1 O1W H1WA 109.9 . . ?
K2 O1W H1WA 110.0 . . ?
K1 O1W H1WA 108.6 2_766 . ?
K1 O1W H1WB 12.8 . . ?
K2 O1W H1WB 105.4 . . ?
K1 O1W H1WB 89.8 2_766 . ?
H1WA O1W H1WB 121.8 . . ?

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
O13 B5 O1 B3 -26.1(5) . . . . ?
O2 B5 O1 B3 -146.0(3) . . . . ?
O3 B5 O1 B3 94.1(4) . . . . ?
Na B5 O1 B3 -160.8(3) . . . . ?
K3 B5 O1 B3 106.7(3) 2_675 . . . ?
K2 B5 O1 B3 44.3(3) . . . . ?
K1 B5 O1 B3 -89.3(3) 2_666 . . . ?
O13 B5 O1 Na 134.7(3) . . . . ?
O2 B5 O1 Na 14.8(3) . . . . ?
O3 B5 O1 Na -105.2(3) . . . . ?
K3 B5 O1 Na -92.49(10) 2_675 . . . ?
K2 B5 O1 Na -154.93(11) . . . . ?
K1 B5 O1 Na 71.50(12) 2_666 . . . ?
O13 B5 O1 K3 -132.8(3) . . . 2_675 ?
O2 B5 O1 K3 107.3(3) . . . 2_675 ?
O3 B5 O1 K3 -12.7(3) . . . 2_675 ?
Na B5 O1 K3 92.49(10) . . . 2_675 ?
K2 B5 O1 K3 -62.44(14) . . . 2_675 ?
K1 B5 O1 K3 163.99(10) 2_666 . . 2_675 ?
O11 B3 O1 B5 28.3(5) . . . . ?
O10 B3 O1 B5 146.6(3) . . . . ?
O7 B3 O1 B5 -92.0(4) . . . . ?
K3 B3 O1 B5 -106.8(3) 2_675 . . . ?
K2 B3 O1 B5 -10.7(8) 2_665 . . . ?
O11 B3 O1 Na -118.5(4) . . . . ?
O10 B3 O1 Na -0.2(6) . . . . ?
O7 B3 O1 Na 121.2(3) . . . . ?
K3 B3 O1 Na 106.4(4) 2_675 . . . ?
K2 B3 O1 Na -157.4(3) 2_665 . . . ?
O11 B3 O1 K3 135.0(3) . . . 2_675 ?
O10 B3 O1 K3 -106.6(3) . . . 2_675 ?
O7 B3 O1 K3 14.8(3) . . . 2_675 ?
K2 B3 O1 K3 96.1(5) 2_665 . . 2_675 ?
O4 B6 O2 B5 -169.6(4) . . . . ?
O6 B6 O2 B5 12.2(6) . . . . ?
Na B6 O2 B5 118.9(4) . . . . ?
K3 B6 O2 B5 74.3(10) 1_656 . . . ?
O4 B6 O2 Na 71.6(4) . . . . ?
O6 B6 O2 Na -106.7(3) . . . . ?
K3 B6 O2 Na -44.6(10) 1_656 . . . ?
O4 B6 O2 K1 -44.0(5) . . . 2_666 ?
O6 B6 O2 K1 137.7(3) . . . 2_666 ?
Na B6 O2 K1 -115.6(2) . . . 2_666 ?
K3 B6 O2 K1 -160.2(8) 1_656 . . 2_666 ?
O1 B5 O2 B6 -139.2(4) . . . . ?
O13 B5 O2 B6 97.7(4) . . . . ?
O3 B5 O2 B6 -19.0(5) . . . . ?
Na B5 O2 B6 -121.9(4) . . . . ?
K3 B5 O2 B6 -78.1(4) 2_675 . . . ?
K2 B5 O2 B6 18.1(8) . . . . ?
K1 B5 O2 B6 133.6(4) 2_666 . . . ?
O1 B5 O2 Na -17.3(3) . . . . ?
O13 B5 O2 Na -140.4(2) . . . . ?
O3 B5 O2 Na 103.0(3) . . . . ?
K3 B5 O2 Na 43.9(2) 2_675 . . . ?
K2 B5 O2 Na 140.1(5) . . . . ?
K1 B5 O2 Na -104.42(13) 2_666 . . . ?
O1 B5 O2 K1 87.1(3) . . . 2_666 ?
O13 B5 O2 K1 -36.0(3) . . . 2_666 ?
O3 B5 O2 K1 -152.6(3) . . . 2_666 ?
Na B5 O2 K1 104.42(14) . . . 2_666 ?
K3 B5 O2 K1 148.32(15) 2_675 . . 2_666 ?
K2 B5 O2 K1 -115.5(5) . . . 2_666 ?
O12 B7 O3 B5 178.0(4) . . . . ?
O6 B7 O3 B5 -2.9(6) . . . . ?
K3 B7 O3 B5 -116.0(4) 2_675 . . . ?
K1 B7 O3 B5 99.3(4) 2_766 . . . ?
O12 B7 O3 K2 39.1(6) . . . . ?
O6 B7 O3 K2 -141.8(3) . . . . ?
K3 B7 O3 K2 105.1(3) 2_675 . . . ?
K1 B7 O3 K2 -39.6(4) 2_766 . . . ?
O12 B7 O3 K3 -66.0(5) . . . 2_675 ?
O6 B7 O3 K3 113.1(4) . . . 2_675 ?
K1 B7 O3 K3 -144.65(18) 2_766 . . 2_675 ?
O1 B5 O3 B7 133.9(4) . . . . ?
O13 B5 O3 B7 -102.7(4) . . . . ?
O2 B5 O3 B7 14.1(5) . . . . ?
Na B5 O3 B7 67.2(4) . . . . ?
K3 B5 O3 B7 120.9(4) 2_675 . . . ?
K2 B5 O3 B7 -144.8(4) . . . . ?
K1 B5 O3 B7 -39.1(7) 2_666 . . . ?
O1 B5 O3 K2 -81.3(3) . . . . ?
O13 B5 O3 K2 42.1(3) . . . . ?
O2 B5 O3 K2 158.9(2) . . . . ?
Na B5 O3 K2 -148.03(14) . . . . ?
K3 B5 O3 K2 -94.25(13) 2_675 . . . ?
K1 B5 O3 K2 105.7(5) 2_666 . . . ?
O1 B5 O3 K3 13.0(3) . . . 2_675 ?
O13 B5 O3 K3 136.4(3) . . . 2_675 ?
O2 B5 O3 K3 -106.9(3) . . . 2_675 ?
Na B5 O3 K3 -53.8(2) . . . 2_675 ?
K2 B5 O3 K3 94.25(13) . . . 2_675 ?
K1 B5 O3 K3 -160.1(5) 2_666 . . 2_675 ?
O2 B6 O4 Al 59.1(5) . . . 2_666 ?
O6 B6 O4 Al -122.7(3) . . . 2_666 ?
Na B6 O4 Al 103.7(3) . . . 2_666 ?
K3 B6 O4 Al -138.1(3) 1_656 . . 2_666 ?
O2 B6 O4 K3 -162.8(4) . . . 1_656 ?
O6 B6 O4 K3 15.5(3) . . . 1_656 ?
Na B6 O4 K3 -118.14(13) . . . 1_656 ?
O10 B1 O5 Al -146.6(3) . . . 2_565 ?
O9 B1 O5 Al 30.2(6) . . . 2_565 ?
K2 B1 O5 Al -114.5(3) 1_455 . . 2_565 ?
O10 B1 O5 K3 53.9(5) . . . 2_575 ?
O9 B1 O5 K3 -129.3(3) . . . 2_575 ?
K2 B1 O5 K3 85.97(18) 1_455 . . 2_575 ?
O10 B1 O5 K2 -32.1(4) . . . 1_455 ?
O9 B1 O5 K2 144.7(4) . . . 1_455 ?
O3 B7 O6 B6 -6.0(6) . . . . ?
O12 B7 O6 B6 173.2(4) . . . . ?
K3 B7 O6 B6 54.7(5) 2_675 . . . ?
K1 B7 O6 B6 -129.8(3) 2_766 . . . ?
O3 B7 O6 K3 -156.7(3) . . . 1_656 ?
O12 B7 O6 K3 22.5(6) . . . 1_656 ?
K3 B7 O6 K3 -96.0(4) 2_675 . . 1_656 ?
K1 B7 O6 K3 79.5(3) 2_766 . . 1_656 ?
O4 B6 O6 B7 -176.9(4) . . . . ?
O2 B6 O6 B7 1.5(6) . . . . ?
Na B6 O6 B7 -52.8(5) . . . . ?
K3 B6 O6 B7 -159.6(4) 1_656 . . . ?
O4 B6 O6 K3 -17.3(4) . . . 1_656 ?
O2 B6 O6 K3 161.0(3) . . . 1_656 ?
Na B6 O6 K3 106.8(2) . . . 1_656 ?
O8 B2 O7 B3 162.7(4) . . . . ?
O9 B2 O7 B3 -15.9(6) . . . . ?
K3 B2 O7 B3 99.3(4) 2_675 . . . ?
K3 B2 O7 B3 45.6(13) . . . . ?
O8 B2 O7 K3 63.3(4) . . . 2_675 ?
O9 B2 O7 K3 -115.3(4) . . . 2_675 ?
K3 B2 O7 K3 -53.7(11) . . . 2_675 ?
O8 B2 O7 K2 -14.5(7) . . . . ?
O9 B2 O7 K2 166.9(3) . . . . ?
K3 B2 O7 K2 -77.8(3) 2_675 . . . ?
K3 B2 O7 K2 -131.5(10) . . . . ?
O8 B2 O7 K2 -104.4(4) . . . 2_665 ?
O9 B2 O7 K2 77.0(4) . . . 2_665 ?
K3 B2 O7 K2 -167.76(13) 2_675 . . 2_665 ?
K3 B2 O7 K2 138.6(11) . . . 2_665 ?
O1 B3 O7 B2 -109.2(4) . . . . ?
O11 B3 O7 B2 127.0(4) . . . . ?
O10 B3 O7 B2 11.3(5) . . . . ?
K3 B3 O7 B2 -94.4(4) 2_675 . . . ?
K2 B3 O7 B2 99.8(4) 2_665 . . . ?
O1 B3 O7 K3 -14.8(3) . . . 2_675 ?
O11 B3 O7 K3 -138.6(3) . . . 2_675 ?
O10 B3 O7 K3 105.7(3) . . . 2_675 ?
K2 B3 O7 K3 -165.78(12) 2_665 . . 2_675 ?
O1 B3 O7 K2 68.8(3) . . . . ?
O11 B3 O7 K2 -55.0(3) . . . . ?
O10 B3 O7 K2 -170.7(3) . . . . ?
K3 B3 O7 K2 83.64(10) 2_675 . . . ?
K2 B3 O7 K2 -82.14(10) 2_665 . . . ?
O1 B3 O7 K2 150.9(3) . . . 2_665 ?
O11 B3 O7 K2 27.2(3) . . . 2_665 ?
O10 B3 O7 K2 -88.5(3) . . . 2_665 ?
K3 B3 O7 K2 165.78(12) 2_675 . . 2_665 ?
O7 B2 O8 Al 16.9(6) . . . 2_665 ?
O9 B2 O8 Al -164.5(3) . . . 2_665 ?
K3 B2 O8 Al 71.9(3) 2_675 . . 2_665 ?
K3 B2 O8 Al -177.2(3) . . . 2_665 ?
O7 B2 O8 K3 -165.9(4) . . . . ?
O9 B2 O8 K3 12.7(4) . . . . ?
K3 B2 O8 K3 -110.92(9) 2_675 . . . ?
O7 B2 O8 K3 -55.0(4) . . . 2_675 ?
O9 B2 O8 K3 123.6(4) . . . 2_675 ?
K3 B2 O8 K3 110.92(9) . . . 2_675 ?
O5 B1 O9 B2 -172.0(4) . . . . ?
O10 B1 O9 B2 4.8(6) . . . . ?
K2 B1 O9 B2 -76.5(6) 1_455 . . . ?
O5 B1 O9 K3 39.6(6) . . . . ?
O10 B1 O9 K3 -143.6(3) . . . . ?
K2 B1 O9 K3 135.1(4) 1_455 . . . ?
O7 B2 O9 B1 7.4(6) . . . . ?
O8 B2 O9 B1 -171.2(4) . . . . ?
K3 B2 O9 B1 -71.0(5) 2_675 . . . ?
K3 B2 O9 B1 -157.2(4) . . . . ?
O7 B2 O9 K3 164.6(3) . . . . ?
O8 B2 O9 K3 -14.1(4) . . . . ?
K3 B2 O9 K3 86.2(3) 2_675 . . . ?
O5 B1 O10 B3 167.8(4) . . . . ?
O9 B1 O10 B3 -9.0(6) . . . . ?
K2 B1 O10 B3 133.5(4) 1_455 . . . ?
O5 B1 O10 K2 34.3(4) . . . 1_455 ?
O9 B1 O10 K2 -142.5(3) . . . 1_455 ?
O1 B3 O10 B1 123.0(4) . . . . ?
O11 B3 O10 B1 -114.6(4) . . . . ?
O7 B3 O10 B1 1.4(5) . . . . ?
K3 B3 O10 B1 62.3(4) 2_675 . . . ?
K2 B3 O10 B1 -67.2(4) 2_665 . . . ?
O1 B3 O10 K2 -115.6(3) . . . 1_455 ?
O11 B3 O10 K2 6.8(4) . . . 1_455 ?
O7 B3 O10 K2 122.8(3) . . . 1_455 ?
K3 B3 O10 K2 -176.32(10) 2_675 . . 1_455 ?
K2 B3 O10 K2 54.2(2) 2_665 . . 1_455 ?
O14 B4 O11 B3 174.2(4) . . . . ?
O13 B4 O11 B3 -6.2(6) . . . . ?
K1 B4 O11 B3 66.2(4) 2_666 . . . ?
K2 B4 O11 B3 -70.9(3) . . . . ?
O14 B4 O11 K2 -43.1(5) . . . 2_665 ?
O13 B4 O11 K2 136.5(3) . . . 2_665 ?
K1 B4 O11 K2 -151.09(14) 2_666 . . 2_665 ?
K2 B4 O11 K2 71.8(2) . . . 2_665 ?
O1 B3 O11 B4 -11.3(5) . . . . ?
O10 B3 O11 B4 -130.9(4) . . . . ?
O7 B3 O11 B4 111.0(4) . . . . ?
K3 B3 O11 B4 53.5(6) 2_675 . . . ?
K2 B3 O11 B4 145.9(4) 2_665 . . . ?
O1 B3 O11 K2 -157.2(3) . . . 2_665 ?
O10 B3 O11 K2 83.2(3) . . . 2_665 ?
O7 B3 O11 K2 -35.0(3) . . . 2_665 ?
K3 B3 O11 K2 -92.4(4) 2_675 . . 2_665 ?
O3 B7 O12 Na 148.0(4) . . . 1_655 ?
O6 B7 O12 Na -31.2(7) . . . 1_655 ?
K3 B7 O12 Na 104.0(4) 2_675 . . 1_655 ?
K1 B7 O12 Na -98.2(5) 2_766 . . 1_655 ?
O3 B7 O12 K1 -113.8(4) . . . 2_766 ?
O6 B7 O12 K1 67.0(4) . . . 2_766 ?
K3 B7 O12 K1 -157.84(11) 2_675 . . 2_766 ?
O14 B4 O13 B5 -171.7(4) . . . . ?
O11 B4 O13 B5 8.7(6) . . . . ?
K1 B4 O13 B5 179.0(4) . . . . ?
K1 B4 O13 B5 -94.3(3) 2_666 . . . ?
K2 B4 O13 B5 81.1(3) . . . . ?
O14 B4 O13 K1 9.3(4) . . . . ?
O11 B4 O13 K1 -170.3(3) . . . . ?
K1 B4 O13 K1 86.71(12) 2_666 . . . ?
K2 B4 O13 K1 -97.91(12) . . . . ?
O14 B4 O13 K1 -77.4(4) . . . 2_666 ?
O11 B4 O13 K1 103.0(4) . . . 2_666 ?
K1 B4 O13 K1 -86.71(12) . . . 2_666 ?
K2 B4 O13 K1 175.37(11) . . . 2_666 ?
O14 B4 O13 K2 107.2(4) . . . . ?
O11 B4 O13 K2 -72.4(4) . . . . ?
K1 B4 O13 K2 97.91(12) . . . . ?
K1 B4 O13 K2 -175.37(11) 2_666 . . . ?
O1 B5 O13 B4 6.8(5) . . . . ?
O2 B5 O13 B4 127.5(4) . . . . ?
O3 B5 O13 B4 -114.6(4) . . . . ?
Na B5 O13 B4 79.8(5) . . . . ?
K3 B5 O13 B4 -58.3(5) 2_675 . . . ?
K2 B5 O13 B4 -81.3(4) . . . . ?
K1 B5 O13 B4 94.2(4) 2_666 . . . ?
O1 B5 O13 K1 -174.6(2) . . . . ?
O2 B5 O13 K1 -53.9(5) . . . . ?
O3 B5 O13 K1 63.9(5) . . . . ?
Na B5 O13 K1 -101.6(4) . . . . ?
K3 B5 O13 K1 120.3(3) 2_675 . . . ?
K2 B5 O13 K1 97.3(3) . . . . ?
K1 B5 O13 K1 -87.3(3) 2_666 . . . ?
O1 B5 O13 K1 -87.4(3) . . . 2_666 ?
O2 B5 O13 K1 33.3(3) . . . 2_666 ?
O3 B5 O13 K1 151.2(3) . . . 2_666 ?
Na B5 O13 K1 -14.4(4) . . . 2_666 ?
K3 B5 O13 K1 -152.4(3) 2_675 . . 2_666 ?
K2 B5 O13 K1 -175.44(11) . . . 2_666 ?
O1 B5 O13 K2 88.1(3) . . . . ?
O2 B5 O13 K2 -151.2(3) . . . . ?
O3 B5 O13 K2 -33.4(3) . . . . ?
Na B5 O13 K2 161.1(3) . . . . ?
K3 B5 O13 K2 23.0(3) 2_675 . . . ?
K1 B5 O13 K2 175.44(11) 2_666 . . . ?
O11 B4 O14 Al 49.9(8) . . . . ?
O13 B4 O14 Al -129.7(5) . . . . ?
K1 B4 O14 Al -120.9(6) . . . . ?
K1 B4 O14 Al 169.0(5) 2_666 . . . ?
K2 B4 O14 Al -49.4(7) . . . . ?
O11 B4 O14 K1 170.8(4) . . . . ?
O13 B4 O14 K1 -8.8(4) . . . . ?
K1 B4 O14 K1 -70.13(13) 2_666 . . . ?
K2 B4 O14 K1 71.5(2) . . . . ?
O4 Al O14 B4 -169.4(6) 2_666 . . . ?
O8 Al O14 B4 70.6(6) 2_665 . . . ?
O5 Al O14 B4 -49.1(6) 2_565 . . . ?
K3 Al O14 B4 -1.5(7) 1_545 . . . ?
K1 Al O14 B4 119.0(6) . . . . ?
K2 Al O14 B4 -21.9(6) 2_665 . . . ?
O4 Al O14 K1 71.55(15) 2_666 . . . ?
O8 Al O14 K1 -48.48(16) 2_665 . . . ?
O5 Al O14 K1 -168.17(11) 2_565 . . . ?
K3 Al O14 K1 -120.51(11) 1_545 . . . ?
K2 Al O14 K1 -140.89(12) 2_665 . . . ?

_refine_diff_density_max         1.611
_refine_diff_density_min         -0.648
_refine_diff_density_rms         0.114

_shelxl_version_number           2013-2



