# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_1_a
_database_code_depnum_ccdc_archive 'CCDC 2039931'
loop_
_audit_author_name
_audit_author_address
'Ying Hou'
;Tianjin University of Technology
China
;
_audit_update_record             
;
2020-10-22 deposited with the CCDC.	2020-12-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            K2CsB4PO10
_chemical_formula_weight         222.66

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'
P P 0.1023 0.0942 '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                   6.6235(9)
_cell_length_b                   6.6243(10)
_cell_length_c                   13.273(2)
_cell_angle_alpha                79.738(4)
_cell_angle_beta                 86.558(4)
_cell_angle_gamma                60.095(4)
_cell_volume                     496.46(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    301(2)
_cell_measurement_reflns_used    6611
_cell_measurement_theta_min      3.12
_cell_measurement_theta_max      27.54

_exptl_crystal_description       slice
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.979
_exptl_crystal_F_000             416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.198
_exptl_crystal_size_mid          0.157
_exptl_crystal_size_min          0.077
_exptl_absorpt_coefficient_mu    4.770
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.6006
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      301(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11152
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.121
_diffrn_reflns_theta_max         27.551
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             2295
_reflns_number_gt                2092
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2295
_refine_ls_number_parameters     163
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0293
_refine_ls_wR_factor_ref         0.1134
_refine_ls_wR_factor_gt          0.1050
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_restrained_S_all      0.939
_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
Cs1 Cs 0.94060(4) 0.18412(4) 0.34683(2) 0.02458(15) Uani 1 1 d . . . . .
K1 K 0.32831(14) 1.21369(15) 0.59812(6) 0.0153(2) Uani 1 1 d . . . . .
K2 K 0.19907(15) -0.28532(16) 0.93634(7) 0.0187(2) Uani 1 1 d . . . . .
P1 P 0.72071(18) 0.48343(19) 0.63747(8) 0.0148(2) Uani 1 1 d . . . . .
O1 O 0.6506(4) 0.4166(5) 0.8599(2) 0.0131(5) Uani 1 1 d . . . . .
O2 O 0.3459(5) 0.3395(5) 0.8324(2) 0.0159(6) Uani 1 1 d . . . . .
O3 O 0.0669(4) 0.2164(5) 0.8872(2) 0.0151(6) Uani 1 1 d . . . . .
O4 O 0.5799(5) 0.3635(6) 0.6913(2) 0.0215(6) Uani 1 1 d . . . . .
O5 O 0.7494(5) 0.0294(5) 0.8281(2) 0.0176(6) Uani 1 1 d . . . . .
O6 O 0.8495(5) -0.3642(5) 0.8639(2) 0.0198(6) Uani 1 1 d . . . . .
O7 O 0.4531(5) -0.0653(6) 0.8785(3) 0.0251(7) Uani 1 1 d . . . . .
O8 O 0.5640(6) 0.7461(6) 0.6066(3) 0.0283(7) Uani 1 1 d . . . . .
O9 O 0.8528(6) 0.3589(6) 0.5511(2) 0.0241(7) Uani 1 1 d . . . . .
O10 O 0.9071(5) 0.4315(6) 0.7215(2) 0.0210(6) Uani 1 1 d . . . . .
B1 B 0.6841(7) -0.1363(8) 0.8568(3) 0.0141(8) Uani 1 1 d . . . . .
B2 B 0.2865(7) 0.1723(8) 0.8662(3) 0.0128(8) Uani 1 1 d . . . . .
B3 B 0.8594(7) 0.4282(7) 0.8350(3) 0.0120(8) Uani 1 1 d . . . . .
B4 B 0.5867(8) 0.2854(8) 0.8072(4) 0.0134(8) 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
Cs1 O9 3.047(3) . ?
Cs1 O5 3.051(3) 2_756 ?
Cs1 O10 3.155(3) 2_766 ?
Cs1 O8 3.175(3) 2_666 ?
Cs1 O9 3.198(3) 2_756 ?
Cs1 O4 3.239(3) 2_666 ?
Cs1 O2 3.334(3) 2_666 ?
Cs1 O6 3.343(3) 2_756 ?
Cs1 B1 3.507(4) 2_756 ?
Cs1 O4 3.532(3) 2_756 ?
Cs1 O8 3.636(4) 2_766 ?
Cs1 K1 3.6629(10) 2_676 ?
K1 O8 2.668(4) . ?
K1 O4 2.761(3) 1_565 ?
K1 O8 2.768(4) 2_676 ?
K1 O9 2.870(3) 1_465 ?
K1 O9 2.877(3) 2_676 ?
K1 O10 2.971(3) 1_465 ?
K1 P1 3.3384(14) 2_676 ?
K1 O2 3.382(3) 1_565 ?
K1 B2 3.525(5) 1_565 ?
K1 P1 3.5456(14) 1_465 ?
K1 B4 3.565(5) 1_565 ?
K2 O7 2.727(3) . ?
K2 O2 2.771(3) 1_545 ?
K2 O1 2.771(3) 2_657 ?
K2 O3 2.807(3) 2_557 ?
K2 O6 2.866(3) 1_455 ?
K2 O1 2.887(3) 1_545 ?
K2 O5 2.922(3) 1_455 ?
K2 O3 2.938(3) . ?
K2 B3 3.075(5) 2_657 ?
K2 B1 3.229(4) 1_455 ?
K2 O6 3.313(3) 2_647 ?
K2 B2 3.327(5) . ?
P1 O9 1.502(3) . ?
P1 O8 1.506(3) . ?
P1 O4 1.571(3) . ?
P1 O10 1.579(3) . ?
O1 B4 1.430(5) . ?
O1 B3 1.438(5) . ?
O2 B2 1.349(5) . ?
O2 B4 1.480(5) . ?
O3 B2 1.355(5) . ?
O3 B3 1.477(5) 1_455 ?
O4 B4 1.530(5) . ?
O5 B1 1.357(5) . ?
O5 B4 1.470(5) . ?
O6 B1 1.342(5) . ?
O6 B3 1.462(5) 1_545 ?
O7 B2 1.385(5) . ?
O7 B1 1.386(5) . ?
O10 B3 1.519(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
O9 Cs1 O5 152.90(8) . 2_756 ?
O9 Cs1 O10 84.12(8) . 2_766 ?
O5 Cs1 O10 81.67(8) 2_756 2_766 ?
O9 Cs1 O8 78.82(9) . 2_666 ?
O5 Cs1 O8 127.72(8) 2_756 2_666 ?
O10 Cs1 O8 129.28(9) 2_766 2_666 ?
O9 Cs1 O9 94.33(8) . 2_756 ?
O5 Cs1 O9 82.77(8) 2_756 2_756 ?
O10 Cs1 O9 141.33(8) 2_766 2_756 ?
O8 Cs1 O9 87.71(8) 2_666 2_756 ?
O9 Cs1 O4 78.05(8) . 2_666 ?
O5 Cs1 O4 122.71(8) 2_756 2_666 ?
O10 Cs1 O4 83.34(8) 2_766 2_666 ?
O8 Cs1 O4 46.57(8) 2_666 2_666 ?
O9 Cs1 O4 134.27(8) 2_756 2_666 ?
O9 Cs1 O2 106.56(8) . 2_666 ?
O5 Cs1 O2 84.38(7) 2_756 2_666 ?
O10 Cs1 O2 56.35(7) 2_766 2_666 ?
O8 Cs1 O2 83.53(8) 2_666 2_666 ?
O9 Cs1 O2 155.22(7) 2_756 2_666 ?
O4 Cs1 O2 42.67(7) 2_666 2_666 ?
O9 Cs1 O6 127.70(8) . 2_756 ?
O5 Cs1 O6 42.04(7) 2_756 2_756 ?
O10 Cs1 O6 43.61(7) 2_766 2_756 ?
O8 Cs1 O6 131.11(8) 2_666 2_756 ?
O9 Cs1 O6 123.46(7) 2_756 2_756 ?
O4 Cs1 O6 94.46(7) 2_666 2_756 ?
O2 Cs1 O6 51.89(7) 2_666 2_756 ?
O9 Cs1 B1 137.07(10) . 2_756 ?
O5 Cs1 B1 22.53(9) 2_756 2_756 ?
O10 Cs1 B1 59.14(9) 2_766 2_756 ?
O8 Cs1 B1 140.95(9) 2_666 2_756 ?
O9 Cs1 B1 101.10(9) 2_756 2_756 ?
O4 Cs1 B1 115.14(9) 2_666 2_756 ?
O2 Cs1 B1 72.63(9) 2_666 2_756 ?
O6 Cs1 B1 22.43(9) 2_756 2_756 ?
O9 Cs1 O4 122.95(8) . 2_756 ?
O5 Cs1 O4 42.09(7) 2_756 2_756 ?
O10 Cs1 O4 106.76(8) 2_766 2_756 ?
O8 Cs1 O4 122.64(8) 2_666 2_756 ?
O9 Cs1 O4 43.41(7) 2_756 2_756 ?
O4 Cs1 O4 156.86(9) 2_666 2_756 ?
O2 Cs1 O4 126.39(7) 2_666 2_756 ?
O6 Cs1 O4 80.24(7) 2_756 2_756 ?
B1 Cs1 O4 57.81(9) 2_756 2_756 ?
O9 Cs1 O8 74.69(8) . 2_766 ?
O5 Cs1 O8 79.19(8) 2_756 2_766 ?
O10 Cs1 O8 43.01(7) 2_766 2_766 ?
O8 Cs1 O8 153.01(11) 2_666 2_766 ?
O9 Cs1 O8 99.26(8) 2_756 2_766 ?
O4 Cs1 O8 121.04(8) 2_666 2_766 ?
O2 Cs1 O8 99.02(7) 2_666 2_766 ?
O6 Cs1 O8 65.41(7) 2_756 2_766 ?
B1 Cs1 O8 63.47(9) 2_756 2_766 ?
O4 Cs1 O8 77.38(7) 2_756 2_766 ?
O9 Cs1 K1 49.75(6) . 2_676 ?
O5 Cs1 K1 129.79(6) 2_756 2_676 ?
O10 Cs1 K1 51.01(6) 2_766 2_676 ?
O8 Cs1 K1 82.71(6) 2_666 2_676 ?
O9 Cs1 K1 143.96(5) 2_756 2_676 ?
O4 Cs1 K1 46.67(5) 2_666 2_676 ?
O2 Cs1 K1 57.59(5) 2_666 2_676 ?
O6 Cs1 K1 87.79(5) 2_756 2_676 ?
B1 Cs1 K1 108.17(7) 2_756 2_676 ?
O4 Cs1 K1 153.70(5) 2_756 2_676 ?
O8 Cs1 K1 76.35(6) 2_766 2_676 ?
O8 K1 O4 111.23(11) . 1_565 ?
O8 K1 O8 87.33(11) . 2_676 ?
O4 K1 O8 104.97(10) 1_565 2_676 ?
O8 K1 O9 105.69(10) . 1_465 ?
O4 K1 O9 139.44(10) 1_565 1_465 ?
O8 K1 O9 92.72(10) 2_676 1_465 ?
O8 K1 O9 139.69(10) . 2_676 ?
O4 K1 O9 89.23(10) 1_565 2_676 ?
O8 K1 O9 53.18(9) 2_676 2_676 ?
O9 K1 O9 72.51(11) 1_465 2_676 ?
O8 K1 O10 119.88(10) . 1_465 ?
O4 K1 O10 95.67(9) 1_565 1_465 ?
O8 K1 O10 136.94(9) 2_676 1_465 ?
O9 K1 O10 50.15(8) 1_465 1_465 ?
O9 K1 O10 90.55(9) 2_676 1_465 ?
O8 K1 P1 113.42(8) . 2_676 ?
O4 K1 P1 98.47(7) 1_565 2_676 ?
O8 K1 P1 26.52(7) 2_676 2_676 ?
O9 K1 P1 81.34(7) 1_465 2_676 ?
O9 K1 P1 26.68(6) 2_676 2_676 ?
O10 K1 P1 114.24(7) 1_465 2_676 ?
O8 K1 O2 109.33(9) . 1_565 ?
O4 K1 O2 44.43(7) 1_565 1_565 ?
O8 K1 O2 148.40(10) 2_676 1_565 ?
O9 K1 O2 107.45(8) 1_465 1_565 ?
O9 K1 O2 109.42(8) 2_676 1_565 ?
O10 K1 O2 57.31(7) 1_465 1_565 ?
P1 K1 O2 131.91(6) 2_676 1_565 ?
O8 K1 B2 93.69(10) . 1_565 ?
O4 K1 B2 64.40(9) 1_565 1_565 ?
O8 K1 B2 168.93(11) 2_676 1_565 ?
O9 K1 B2 97.59(9) 1_465 1_565 ?
O9 K1 B2 126.63(10) 2_676 1_565 ?
O10 K1 B2 50.94(9) 1_465 1_565 ?
P1 K1 B2 152.24(8) 2_676 1_565 ?
O2 K1 B2 22.41(8) 1_565 1_565 ?
O8 K1 P1 117.61(8) . 1_465 ?
O4 K1 P1 117.73(7) 1_565 1_465 ?
O8 K1 P1 113.24(8) 2_676 1_465 ?
O9 K1 P1 24.28(6) 1_465 1_465 ?
O9 K1 P1 77.68(7) 2_676 1_465 ?
O10 K1 P1 26.19(6) 1_465 1_465 ?
P1 K1 P1 95.43(3) 2_676 1_465 ?
O2 K1 P1 83.32(5) 1_565 1_465 ?
B2 K1 P1 75.99(7) 1_565 1_465 ?
O8 K1 B4 102.20(11) . 1_565 ?
O4 K1 B4 23.95(9) 1_565 1_565 ?
O8 K1 B4 127.88(11) 2_676 1_565 ?
O9 K1 B4 131.33(10) 1_465 1_565 ?
O9 K1 B4 108.44(10) 2_676 1_565 ?
O10 K1 B4 81.40(9) 1_465 1_565 ?
P1 K1 B4 121.93(8) 2_676 1_565 ?
O2 K1 B4 24.42(8) 1_565 1_565 ?
B2 K1 B4 41.18(10) 1_565 1_565 ?
P1 K1 B4 107.05(7) 1_465 1_565 ?
O8 K1 Cs1 165.58(8) . 2_676 ?
O4 K1 Cs1 58.56(7) 1_565 2_676 ?
O8 K1 Cs1 104.78(8) 2_676 2_676 ?
O9 K1 Cs1 81.89(7) 1_465 2_676 ?
O9 K1 Cs1 53.93(6) 2_676 2_676 ?
O10 K1 Cs1 55.61(6) 1_465 2_676 ?
P1 K1 Cs1 79.50(3) 2_676 2_676 ?
O2 K1 Cs1 56.31(5) 1_565 2_676 ?
B2 K1 Cs1 72.92(7) 1_565 2_676 ?
P1 K1 Cs1 65.15(2) 1_465 2_676 ?
B4 K1 Cs1 64.27(7) 1_565 2_676 ?
O7 K2 O2 109.38(9) . 1_545 ?
O7 K2 O1 94.76(10) . 2_657 ?
O2 K2 O1 114.33(9) 1_545 2_657 ?
O7 K2 O3 122.65(10) . 2_557 ?
O2 K2 O3 125.73(9) 1_545 2_557 ?
O1 K2 O3 51.11(8) 2_657 2_557 ?
O7 K2 O6 142.60(10) . 1_455 ?
O2 K2 O6 62.40(8) 1_545 1_455 ?
O1 K2 O6 122.29(9) 2_657 1_455 ?
O3 K2 O6 82.87(8) 2_557 1_455 ?
O7 K2 O1 65.88(8) . 1_545 ?
O2 K2 O1 49.65(7) 1_545 1_545 ?
O1 K2 O1 94.97(8) 2_657 1_545 ?
O3 K2 O1 143.43(9) 2_557 1_545 ?
O6 K2 O1 111.40(8) 1_455 1_545 ?
O7 K2 O5 104.18(9) . 1_455 ?
O2 K2 O5 97.86(8) 1_545 1_455 ?
O1 K2 O5 134.54(8) 2_657 1_455 ?
O3 K2 O5 84.33(8) 2_557 1_455 ?
O6 K2 O5 47.03(8) 1_455 1_455 ?
O1 K2 O5 130.47(8) 1_545 1_455 ?
O7 K2 O3 47.88(8) . . ?
O2 K2 O3 137.57(9) 1_545 . ?
O1 K2 O3 104.05(8) 2_657 . ?
O3 K2 O3 92.13(8) 2_557 . ?
O6 K2 O3 111.29(9) 1_455 . ?
O1 K2 O3 111.70(8) 1_545 . ?
O5 K2 O3 64.26(8) 1_455 . ?
O7 K2 B3 120.02(11) . 2_657 ?
O2 K2 B3 111.28(10) 1_545 2_657 ?
O1 K2 B3 27.87(9) 2_657 2_657 ?
O3 K2 B3 28.62(9) 2_557 2_657 ?
O6 K2 B3 95.56(10) 1_455 2_657 ?
O1 K2 B3 114.81(10) 1_545 2_657 ?
O5 K2 B3 111.67(10) 1_455 2_657 ?
O3 K2 B3 111.10(10) . 2_657 ?
O7 K2 B1 128.64(11) . 1_455 ?
O2 K2 B1 84.64(10) 1_545 1_455 ?
O1 K2 B1 124.87(10) 2_657 1_455 ?
O3 K2 B1 75.29(10) 2_557 1_455 ?
O6 K2 B1 24.52(10) 1_455 1_455 ?
O1 K2 B1 130.39(10) 1_545 1_455 ?
O5 K2 B1 24.85(10) 1_455 1_455 ?
O3 K2 B1 88.04(10) . 1_455 ?
B3 K2 B1 97.42(11) 2_657 1_455 ?
O7 K2 O6 139.35(10) . 2_647 ?
O2 K2 O6 85.94(8) 1_545 2_647 ?
O1 K2 O6 45.51(7) 2_657 2_647 ?
O3 K2 O6 44.75(7) 2_557 2_647 ?
O6 K2 O6 78.01(9) 1_455 2_647 ?
O1 K2 O6 103.48(8) 1_545 2_647 ?
O5 K2 O6 110.86(8) 1_455 2_647 ?
O3 K2 O6 135.74(8) . 2_647 ?
B3 K2 O6 26.12(9) 2_657 2_647 ?
B1 K2 O6 89.06(10) 1_455 2_647 ?
O7 K2 B2 23.92(9) . . ?
O2 K2 B2 125.61(10) 1_545 . ?
O1 K2 B2 100.51(10) 2_657 . ?
O3 K2 B2 108.59(10) 2_557 . ?
O6 K2 B2 129.11(10) 1_455 . ?
O1 K2 B2 88.69(9) 1_545 . ?
O5 K2 B2 83.93(9) 1_455 . ?
O3 K2 B2 23.96(9) . . ?
B3 K2 B2 118.32(11) 2_657 . ?
B1 K2 B2 108.73(11) 1_455 . ?
O6 K2 B2 144.04(10) 2_647 . ?
O9 P1 O8 114.35(19) . . ?
O9 P1 O4 109.38(18) . . ?
O8 P1 O4 111.00(18) . . ?
O9 P1 O10 106.99(18) . . ?
O8 P1 O10 110.08(19) . . ?
O4 P1 O10 104.51(16) . . ?
O9 P1 K1 59.29(13) . 2_676 ?
O8 P1 K1 55.11(13) . 2_676 ?
O4 P1 K1 131.42(12) . 2_676 ?
O10 P1 K1 124.06(12) . 2_676 ?
O9 P1 K1 51.77(13) . 1_645 ?
O8 P1 K1 121.03(14) . 1_645 ?
O4 P1 K1 127.89(13) . 1_645 ?
O10 P1 K1 56.15(11) . 1_645 ?
K1 P1 K1 84.57(3) 2_676 1_645 ?
O9 P1 Cs1 55.34(13) . 2_756 ?
O8 P1 Cs1 165.82(15) . 2_756 ?
O4 P1 Cs1 68.08(12) . 2_756 ?
O10 P1 Cs1 83.40(13) . 2_756 ?
K1 P1 Cs1 114.07(3) 2_676 2_756 ?
K1 P1 Cs1 62.27(2) 1_645 2_756 ?
O9 P1 Cs1 125.13(13) . 2_666 ?
O8 P1 Cs1 54.28(14) . 2_666 ?
O4 P1 Cs1 57.16(12) . 2_666 ?
O10 P1 Cs1 127.71(12) . 2_666 ?
K1 P1 Cs1 89.47(3) 2_676 2_666 ?
K1 P1 Cs1 174.01(4) 1_645 2_666 ?
Cs1 P1 Cs1 121.22(3) 2_756 2_666 ?
O9 P1 Cs1 96.68(13) . 2_766 ?
O8 P1 Cs1 69.35(14) . 2_766 ?
O4 P1 Cs1 149.79(12) . 2_766 ?
O10 P1 Cs1 51.61(12) . 2_766 ?
K1 P1 Cs1 75.03(3) 2_676 2_766 ?
K1 P1 Cs1 58.88(2) 1_645 2_766 ?
Cs1 P1 Cs1 119.06(3) 2_756 2_766 ?
Cs1 P1 Cs1 118.87(3) 2_666 2_766 ?
B4 O1 B3 120.5(3) . . ?
B4 O1 K2 124.2(2) . 2_657 ?
B3 O1 K2 87.9(2) . 2_657 ?
B4 O1 K2 98.1(2) . 1_565 ?
B3 O1 K2 136.9(2) . 1_565 ?
K2 O1 K2 85.03(8) 2_657 1_565 ?
B2 O2 B4 123.5(3) . . ?
B2 O2 K2 119.4(2) . 1_565 ?
B4 O2 K2 101.8(2) . 1_565 ?
B2 O2 Cs1 126.3(2) . 2_666 ?
B4 O2 Cs1 98.6(2) . 2_666 ?
K2 O2 Cs1 76.04(7) 1_565 2_666 ?
B2 O2 K1 84.7(2) . 1_545 ?
B4 O2 K1 84.7(2) . 1_545 ?
K2 O2 K1 142.13(11) 1_565 1_545 ?
Cs1 O2 K1 66.10(6) 2_666 1_545 ?
B2 O3 B3 122.3(3) . 1_455 ?
B2 O3 K2 134.6(3) . 2_557 ?
B3 O3 K2 85.8(2) 1_455 2_557 ?
B2 O3 K2 94.3(2) . . ?
B3 O3 K2 132.7(2) 1_455 . ?
K2 O3 K2 87.87(8) 2_557 . ?
B4 O4 P1 123.4(2) . . ?
B4 O4 K1 109.0(2) . 1_545 ?
P1 O4 K1 127.29(15) . 1_545 ?
B4 O4 Cs1 101.4(2) . 2_666 ?
P1 O4 Cs1 98.80(15) . 2_666 ?
K1 O4 Cs1 74.77(7) 1_545 2_666 ?
B4 O4 Cs1 93.4(2) . 2_756 ?
P1 O4 Cs1 87.55(13) . 2_756 ?
K1 O4 Cs1 83.65(8) 1_545 2_756 ?
Cs1 O4 Cs1 156.86(9) 2_666 2_756 ?
B1 O5 B4 124.3(3) . . ?
B1 O5 K2 90.3(2) . 1_655 ?
B4 O5 K2 136.4(2) . 1_655 ?
B1 O5 Cs1 98.0(2) . 2_756 ?
B4 O5 Cs1 116.3(2) . 2_756 ?
K2 O5 Cs1 78.63(7) 1_655 2_756 ?
B1 O6 B3 134.2(3) . 1_545 ?
B1 O6 K2 93.1(2) . 1_655 ?
B3 O6 K2 132.4(2) 1_545 1_655 ?
B1 O6 K2 113.8(3) . 2_647 ?
B3 O6 K2 67.8(2) 1_545 2_647 ?
K2 O6 K2 101.98(9) 1_655 2_647 ?
B1 O6 Cs1 85.7(2) . 2_756 ?
B3 O6 Cs1 99.8(2) 1_545 2_756 ?
K2 O6 Cs1 74.70(7) 1_655 2_756 ?
K2 O6 Cs1 160.47(10) 2_647 2_756 ?
B2 O7 B1 120.9(3) . . ?
B2 O7 K2 103.1(2) . . ?
B1 O7 K2 135.9(3) . . ?
P1 O8 K1 165.1(2) . . ?
P1 O8 K1 98.38(16) . 2_676 ?
K1 O8 K1 92.67(11) . 2_676 ?
P1 O8 Cs1 103.07(17) . 2_666 ?
K1 O8 Cs1 80.79(9) . 2_666 ?
K1 O8 Cs1 115.92(12) 2_676 2_666 ?
P1 O8 Cs1 87.83(14) . 2_766 ?
K1 O8 Cs1 82.91(9) . 2_766 ?
K1 O8 Cs1 86.13(9) 2_676 2_766 ?
Cs1 O8 Cs1 153.01(11) 2_666 2_766 ?
P1 O9 K1 103.95(15) . 1_645 ?
P1 O9 K1 94.04(15) . 2_676 ?
K1 O9 K1 107.49(11) 1_645 2_676 ?
P1 O9 Cs1 159.21(19) . . ?
K1 O9 Cs1 96.56(9) 1_645 . ?
K1 O9 Cs1 76.32(8) 2_676 . ?
P1 O9 Cs1 101.92(15) . 2_756 ?
K1 O9 Cs1 77.50(8) 1_645 2_756 ?
K1 O9 Cs1 161.68(11) 2_676 2_756 ?
Cs1 O9 Cs1 85.67(8) . 2_756 ?
B3 O10 P1 123.8(2) . . ?
B3 O10 K1 135.5(2) . 1_645 ?
P1 O10 K1 97.66(13) . 1_645 ?
B3 O10 Cs1 106.5(2) . 2_766 ?
P1 O10 Cs1 105.29(15) . 2_766 ?
K1 O10 Cs1 73.38(7) 1_645 2_766 ?
O6 B1 O5 117.7(4) . . ?
O6 B1 O7 122.9(4) . . ?
O5 B1 O7 119.4(4) . . ?
O6 B1 K2 62.4(2) . 1_655 ?
O5 B1 K2 64.8(2) . 1_655 ?
O7 B1 K2 148.7(3) . 1_655 ?
O6 B1 Cs1 71.9(2) . 2_756 ?
O5 B1 Cs1 59.5(2) . 2_756 ?
O7 B1 Cs1 142.5(3) . 2_756 ?
K2 B1 Cs1 68.25(8) 1_655 2_756 ?
O2 B2 O3 124.8(4) . . ?
O2 B2 O7 120.5(3) . . ?
O3 B2 O7 114.7(4) . . ?
O2 B2 K2 173.0(3) . . ?
O3 B2 K2 61.7(2) . . ?
O7 B2 K2 52.98(19) . . ?
O2 B2 K1 72.9(2) . 1_545 ?
O3 B2 K1 106.2(3) . 1_545 ?
O7 B2 K1 90.0(2) . 1_545 ?
K2 B2 K1 103.30(12) . 1_545 ?
O1 B3 O6 112.1(3) . 1_565 ?
O1 B3 O3 111.3(3) . 1_655 ?
O6 B3 O3 107.9(3) 1_565 1_655 ?
O1 B3 O10 111.8(3) . . ?
O6 B3 O10 108.5(3) 1_565 . ?
O3 B3 O10 104.9(3) 1_655 . ?
O1 B3 K2 64.2(2) . 2_657 ?
O6 B3 K2 86.0(2) 1_565 2_657 ?
O3 B3 K2 65.56(19) 1_655 2_657 ?
O10 B3 K2 164.9(3) . 2_657 ?
O1 B3 Cs1 139.6(3) . 2_766 ?
O6 B3 Cs1 58.35(19) 1_565 2_766 ?
O3 B3 Cs1 108.8(2) 1_655 2_766 ?
O10 B3 Cs1 51.43(17) . 2_766 ?
K2 B3 Cs1 141.37(13) 2_657 2_766 ?
O1 B4 O5 113.3(3) . . ?
O1 B4 O2 109.5(3) . . ?
O5 B4 O2 111.0(3) . . ?
O1 B4 O4 110.6(3) . . ?
O5 B4 O4 106.7(3) . . ?
O2 B4 O4 105.3(3) . . ?
O1 B4 K2 57.26(18) . 1_565 ?
O5 B4 K2 138.3(3) . 1_565 ?
O2 B4 K2 52.97(18) . 1_565 ?
O4 B4 K2 114.6(2) . 1_565 ?
O1 B4 K1 153.3(3) . 1_545 ?
O5 B4 K1 90.1(2) . 1_545 ?
O2 B4 K1 70.9(2) . 1_545 ?
O4 B4 K1 47.10(16) . 1_545 ?
K2 B4 K1 113.51(12) 1_565 1_545 ?
O1 B4 Cs1 97.4(2) . 2_666 ?
O5 B4 Cs1 149.0(3) . 2_666 ?
O2 B4 Cs1 58.99(19) . 2_666 ?
O4 B4 Cs1 55.66(19) . 2_666 ?
K2 B4 Cs1 62.67(7) 1_565 2_666 ?
K1 B4 Cs1 59.10(7) 1_545 2_666 ?
O1 B4 Cs1 119.1(2) . 2_756 ?
O5 B4 Cs1 44.08(18) . 2_756 ?
O2 B4 Cs1 131.0(2) . 2_756 ?
O4 B4 Cs1 63.78(19) . 2_756 ?
K2 B4 Cs1 175.73(13) 1_565 2_756 ?
K1 B4 Cs1 68.63(8) 1_545 2_756 ?
Cs1 B4 Cs1 117.10(12) 2_666 2_756 ?

_refine_diff_density_max         1.847
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.144



####################################################################### 
# 
# 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_K3B4P1O10
_database_code_depnum_ccdc_archive 'CCDC 2039933'
loop_
_audit_author_name
_audit_author_address
'Ying Hou'
;Tianjin University of Technology
China
;
_audit_update_record             
;
2020-10-22 deposited with the CCDC.	2020-12-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'K3 B4 P1 O10'
_chemical_formula_weight         351.51

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'
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'
P P 0.1023 0.0942 '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                   6.546(4)
_cell_length_b                   6.567(4)
_cell_length_c                   12.930(9)
_cell_angle_alpha                86.04(2)
_cell_angle_beta                 81.40(2)
_cell_angle_gamma                60.420(15)
_cell_volume                     477.9(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    3292
_cell_measurement_theta_min      3.19
_cell_measurement_theta_max      27.69

_exptl_crystal_description       slice
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.443
_exptl_crystal_F_000             344
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.265
_exptl_crystal_size_mid          0.176
_exptl_crystal_size_min          0.083
_exptl_absorpt_coefficient_mu    1.637
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.4254
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      299(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6430
_diffrn_reflns_av_unetI/netI     0.0457
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.187
_diffrn_reflns_theta_max         27.688
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             2210
_reflns_number_gt                1873
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2210
_refine_ls_number_parameters     163
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.1350
_refine_ls_wR_factor_gt          0.1226
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_restrained_S_all      0.962
_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
K1 K 1.10150(10) 0.20506(11) 0.06324(5) 0.0205(2) Uani 1 1 d . . . . .
K2 K 0.47563(11) 0.32459(12) 0.40295(5) 0.0268(2) Uani 1 1 d . . . . .
P1 P 0.80458(12) 0.72747(12) 0.37214(6) 0.0180(2) Uani 1 1 d . . . . .
K3 K 0.85803(15) 0.92432(16) 0.65397(7) 0.0448(3) Uani 1 1 d . . . . .
O1 O 0.9521(3) 0.6576(3) 0.14554(15) 0.0149(4) Uani 1 1 d . . . . .
O2 O 0.7387(3) 0.0730(3) 0.12378(16) 0.0180(4) Uani 1 1 d . . . . .
O3 O 0.3328(3) 0.3529(3) 0.17890(16) 0.0173(4) Uani 1 1 d . . . . .
O4 O 0.6242(3) 0.4644(3) 0.11568(18) 0.0255(5) Uani 1 1 d . . . . .
O5 O 0.5353(3) 0.8587(3) 0.12933(18) 0.0228(5) Uani 1 1 d . . . . .
O6 O 0.2413(3) 0.7587(3) 0.18629(18) 0.0242(5) Uani 1 1 d . . . . .
O7 O 0.6658(4) 0.9070(4) 0.28738(16) 0.0283(5) Uani 1 1 d . . . . .
O8 O 1.0690(3) 0.5965(4) 0.31891(16) 0.0331(6) Uani 1 1 d . . . . .
O9 O 0.7893(4) 0.8648(4) 0.46376(17) 0.0314(5) Uani 1 1 d . . . . .
O10 O 0.7150(5) 0.5563(5) 0.3961(2) 0.0421(7) Uani 1 1 d . . . . .
B1 B 0.5592(5) 0.2939(5) 0.1388(2) 0.0141(6) Uani 1 1 d . . . . .
B2 B 0.4674(5) 0.6949(5) 0.1448(3) 0.0183(6) Uani 1 1 d . . . . .
B3 B 0.7288(5) 0.8671(5) 0.1698(2) 0.0140(6) Uani 1 1 d . . . . .
B4 B 1.1434(5) 0.5963(5) 0.2032(3) 0.0164(6) 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 O4 2.719(3) . ?
K1 O3 2.793(2) 1_655 ?
K1 O1 2.803(3) 2_765 ?
K1 O5 2.837(2) 1_645 ?
K1 O1 2.859(3) . ?
K1 O2 2.871(3) 2_755 ?
K1 O2 2.896(2) . ?
K1 O6 3.017(3) 1_645 ?
K1 B3 3.035(4) 2_765 ?
K1 O5 3.069(3) 2_765 ?
K1 B2 3.228(3) 1_645 ?
K1 B1 3.301(4) . ?
K2 O10 2.659(3) . ?
K2 O10 2.696(3) 2_666 ?
K2 O8 2.713(3) 1_455 ?
K2 O7 2.818(3) 1_545 ?
K2 O9 2.826(3) 1_545 ?
K2 O9 2.909(3) 2_666 ?
K2 O3 3.141(3) . ?
K2 P1 3.290(2) 2_666 ?
K2 B1 3.381(4) . ?
K2 B4 3.434(4) 1_455 ?
K2 P1 3.434(2) 1_545 ?
K2 K3 3.4865(19) 2_666 ?
P1 O9 1.500(2) . ?
P1 O10 1.501(3) . ?
P1 O8 1.570(2) . ?
P1 O7 1.574(2) . ?
P1 K3 3.736(3) 2_766 ?
P1 K3 3.833(3) 2_676 ?
P1 K3 3.857(2) 2_776 ?
K3 O9 2.654(3) . ?
K3 O6 2.807(3) 2_676 ?
K3 O7 3.025(3) 2_676 ?
K3 O10 3.037(3) 2_766 ?
K3 O8 3.213(4) 2_766 ?
K3 O3 3.231(3) 2_666 ?
K3 O5 3.359(3) 2_676 ?
K3 O9 3.373(3) 2_776 ?
K3 B2 3.397(4) 2_676 ?
O1 B4 1.424(4) . ?
O1 B3 1.437(3) . ?
O2 B1 1.345(3) . ?
O2 B3 1.466(4) 1_545 ?
O3 B1 1.359(3) . ?
O3 B4 1.479(3) 1_455 ?
O4 B1 1.382(4) . ?
O4 B2 1.384(4) . ?
O5 B2 1.346(4) . ?
O5 B3 1.467(3) . ?
O6 B2 1.355(4) . ?
O6 B4 1.482(4) 1_455 ?
O7 B3 1.521(4) . ?
O8 B4 1.502(4) . ?

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
O4 K1 O3 110.11(8) . 1_655 ?
O4 K1 O1 89.51(7) . 2_765 ?
O3 K1 O1 120.42(7) 1_655 2_765 ?
O4 K1 O5 145.90(7) . 1_645 ?
O3 K1 O5 62.31(7) 1_655 1_645 ?
O1 K1 O5 123.68(7) 2_765 1_645 ?
O4 K1 O1 66.49(6) . . ?
O3 K1 O1 49.86(6) 1_655 . ?
O1 K1 O1 96.79(7) 2_765 . ?
O5 K1 O1 111.91(7) 1_645 . ?
O4 K1 O2 116.28(7) . 2_755 ?
O3 K1 O2 131.68(6) 1_655 2_755 ?
O1 K1 O2 49.85(7) 2_765 2_755 ?
O5 K1 O2 85.06(7) 1_645 2_755 ?
O1 K1 O2 144.90(6) . 2_755 ?
O4 K1 O2 48.10(7) . . ?
O3 K1 O2 132.30(7) 1_655 . ?
O1 K1 O2 103.11(6) 2_765 . ?
O5 K1 O2 109.91(8) 1_645 . ?
O1 K1 O2 110.36(7) . . ?
O2 K1 O2 90.51(6) 2_755 . ?
O4 K1 O6 104.71(7) . 1_645 ?
O3 K1 O6 93.15(7) 1_655 1_645 ?
O1 K1 O6 136.67(6) 2_765 1_645 ?
O5 K1 O6 46.81(6) 1_645 1_645 ?
O1 K1 O6 126.49(7) . 1_645 ?
O2 K1 O6 87.82(8) 2_755 1_645 ?
O2 K1 O6 63.15(6) . 1_645 ?
O4 K1 B3 115.19(8) . 2_765 ?
O3 K1 B3 116.56(8) 1_655 2_765 ?
O1 K1 B3 28.14(7) 2_765 2_765 ?
O5 K1 B3 96.31(8) 1_645 2_765 ?
O1 K1 B3 116.55(8) . 2_765 ?
O2 K1 B3 28.57(7) 2_755 2_765 ?
O2 K1 B3 111.00(7) . 2_765 ?
O6 K1 B3 114.52(8) 1_645 2_765 ?
O4 K1 O5 136.90(7) . 2_765 ?
O3 K1 O5 89.65(8) 1_655 2_765 ?
O1 K1 O5 48.19(6) 2_765 2_765 ?
O5 K1 O5 77.18(8) 1_645 2_765 ?
O1 K1 O5 105.39(6) . 2_765 ?
O2 K1 O5 46.65(6) 2_755 2_765 ?
O2 K1 O5 136.71(7) . 2_765 ?
O6 K1 O5 112.24(6) 1_645 2_765 ?
B3 K1 O5 27.80(7) 2_765 2_765 ?
O4 K1 B2 129.44(8) . 1_645 ?
O3 K1 B2 83.02(9) 1_655 1_645 ?
O1 K1 B2 126.60(8) 2_765 1_645 ?
O5 K1 B2 24.57(7) 1_645 1_645 ?
O1 K1 B2 129.31(8) . 1_645 ?
O2 K1 B2 78.11(9) 2_755 1_645 ?
O2 K1 B2 86.29(9) . 1_645 ?
O6 K1 B2 24.76(7) 1_645 1_645 ?
B3 K1 B2 99.21(9) 2_765 1_645 ?
O5 K1 B2 89.58(8) 2_765 1_645 ?
O4 K1 B1 24.16(7) . . ?
O3 K1 B1 123.29(8) 1_655 . ?
O1 K1 B1 97.54(7) 2_765 . ?
O5 K1 B1 129.27(8) 1_645 . ?
O1 K1 B1 88.23(7) . . ?
O2 K1 B1 104.83(7) 2_755 . ?
O2 K1 B1 23.95(6) . . ?
O6 K1 B1 83.36(7) 1_645 . ?
B3 K1 B1 116.08(8) 2_765 . ?
O5 K1 B1 143.65(7) 2_765 . ?
B2 K1 B1 107.82(9) 1_645 . ?
O10 K2 O10 93.48(8) . 2_666 ?
O10 K2 O8 108.76(10) . 1_455 ?
O10 K2 O8 96.30(9) 2_666 1_455 ?
O10 K2 O7 120.30(9) . 1_545 ?
O10 K2 O7 133.42(8) 2_666 1_545 ?
O8 K2 O7 101.10(8) 1_455 1_545 ?
O10 K2 O9 105.29(10) . 1_545 ?
O10 K2 O9 90.58(8) 2_666 1_545 ?
O8 K2 O9 144.71(8) 1_455 1_545 ?
O7 K2 O9 52.24(7) 1_545 1_545 ?
O10 K2 O9 145.97(8) . 2_666 ?
O10 K2 O9 53.72(7) 2_666 2_666 ?
O8 K2 O9 86.15(9) 1_455 2_666 ?
O7 K2 O9 84.62(8) 1_545 2_666 ?
O9 K2 O9 70.30(9) 1_545 2_666 ?
O10 K2 O3 107.10(7) . . ?
O10 K2 O3 141.61(8) 2_666 . ?
O8 K2 O3 46.79(6) 1_455 . ?
O7 K2 O3 61.42(6) 1_545 . ?
O9 K2 O3 113.66(7) 1_545 . ?
O9 K2 O3 105.27(7) 2_666 . ?
O10 K2 P1 119.30(7) . 2_666 ?
O10 K2 P1 26.75(6) 2_666 2_666 ?
O8 K2 P1 93.41(7) 1_455 2_666 ?
O7 K2 P1 108.77(7) 1_545 2_666 ?
O9 K2 P1 77.63(6) 1_545 2_666 ?
O9 K2 P1 27.12(5) 2_666 2_666 ?
O3 K2 P1 127.49(6) . 2_666 ?
O10 K2 B1 90.36(8) . . ?
O10 K2 B1 163.72(8) 2_666 . ?
O8 K2 B1 67.52(7) 1_455 . ?
O7 K2 B1 55.61(7) 1_545 . ?
O9 K2 B1 103.66(7) 1_545 . ?
O9 K2 B1 123.65(7) 2_666 . ?
O3 K2 B1 23.68(6) . . ?
P1 K2 B1 149.26(6) 2_666 . ?
O10 K2 B4 99.93(9) . 1_455 ?
O10 K2 B4 120.67(9) 2_666 1_455 ?
O8 K2 B4 24.93(7) 1_455 1_455 ?
O7 K2 B4 86.39(8) 1_545 1_455 ?
O9 K2 B4 138.30(7) 1_545 1_455 ?
O9 K2 B4 104.77(8) 2_666 1_455 ?
O3 K2 B4 25.50(6) . 1_455 ?
P1 K2 B4 117.39(7) 2_666 1_455 ?
B1 K2 B4 43.06(8) . 1_455 ?
O10 K2 P1 116.76(8) . 1_545 ?
O10 K2 P1 111.26(7) 2_666 1_545 ?
O8 K2 P1 123.90(6) 1_455 1_545 ?
O7 K2 P1 26.93(5) 1_545 1_545 ?
O9 K2 P1 25.42(5) 1_545 1_545 ?
O9 K2 P1 74.23(6) 2_666 1_545 ?
O3 K2 P1 88.29(5) . 1_545 ?
P1 K2 P1 91.59(4) 2_666 1_545 ?
B1 K2 P1 80.82(6) . 1_545 ?
B4 K2 P1 112.93(6) 1_455 1_545 ?
O10 K2 K3 165.09(6) . 2_666 ?
O10 K2 K3 98.24(7) 2_666 2_666 ?
O8 K2 K3 60.92(8) 1_455 2_666 ?
O7 K2 K3 56.14(6) 1_545 2_666 ?
O9 K2 K3 83.87(8) 1_545 2_666 ?
O9 K2 K3 47.99(6) 2_666 2_666 ?
O3 K2 K3 58.07(4) . 2_666 ?
P1 K2 K3 73.73(5) 2_666 2_666 ?
B1 K2 K3 75.88(6) . 2_666 ?
B4 K2 K3 66.11(7) 1_455 2_666 ?
P1 K2 K3 67.27(5) 1_545 2_666 ?
O9 P1 O10 115.67(15) . . ?
O9 P1 O8 108.50(13) . . ?
O10 P1 O8 109.78(15) . . ?
O9 P1 O7 107.85(14) . . ?
O10 P1 O7 109.92(15) . . ?
O8 P1 O7 104.52(12) . . ?
O9 P1 K2 62.15(11) . 2_666 ?
O10 P1 K2 53.97(11) . 2_666 ?
O8 P1 K2 134.35(9) . 2_666 ?
O7 P1 K2 121.04(9) . 2_666 ?
O9 P1 K2 53.98(9) . 1_565 ?
O10 P1 K2 126.21(12) . 1_565 ?
O8 P1 K2 123.73(10) . 1_565 ?
O7 P1 K2 54.17(9) . 1_565 ?
K2 P1 K2 88.41(4) 2_666 1_565 ?
O9 P1 K3 125.59(10) . 2_766 ?
O10 P1 K3 51.47(12) . 2_766 ?
O8 P1 K3 58.67(10) . 2_766 ?
O7 P1 K3 126.49(9) . 2_766 ?
K2 P1 K3 89.37(4) 2_666 2_766 ?
K2 P1 K3 177.56(3) 1_565 2_766 ?
O9 P1 K3 95.45(10) . 2_676 ?
O10 P1 K3 74.71(12) . 2_676 ?
O8 P1 K3 149.32(9) . 2_676 ?
O7 P1 K3 48.33(8) . 2_676 ?
K2 P1 K3 73.76(5) 2_666 2_676 ?
K2 P1 K3 57.02(3) 1_565 2_676 ?
K3 P1 K3 121.31(3) 2_766 2_676 ?
O9 P1 K3 60.22(10) . 2_776 ?
O10 P1 K3 167.49(12) . 2_776 ?
O8 P1 K3 63.51(11) . 2_776 ?
O7 P1 K3 82.40(10) . 2_776 ?
K2 P1 K3 122.07(4) 2_666 2_776 ?
K2 P1 K3 62.42(5) 1_565 2_776 ?
K3 P1 K3 119.73(6) 2_766 2_776 ?
K3 P1 K3 116.68(6) 2_676 2_776 ?
O9 K3 O6 147.02(8) . 2_676 ?
O9 K3 O7 85.28(8) . 2_676 ?
O6 K3 O7 80.80(7) 2_676 2_676 ?
O9 K3 O10 80.72(8) . 2_766 ?
O6 K3 O10 129.79(8) 2_676 2_766 ?
O7 K3 O10 133.01(8) 2_676 2_766 ?
O9 K3 O8 81.23(7) . 2_766 ?
O6 K3 O8 127.11(8) 2_676 2_766 ?
O7 K3 O8 86.39(6) 2_676 2_766 ?
O10 K3 O8 47.30(7) 2_766 2_766 ?
O9 K3 O3 109.29(8) . 2_666 ?
O6 K3 O3 88.46(8) 2_676 2_666 ?
O7 K3 O3 58.37(6) 2_676 2_666 ?
O10 K3 O3 84.60(8) 2_766 2_666 ?
O8 K3 O3 42.92(6) 2_766 2_666 ?
O9 K3 O5 129.50(8) . 2_676 ?
O6 K3 O5 43.29(6) 2_676 2_676 ?
O7 K3 O5 44.29(6) 2_676 2_676 ?
O10 K3 O5 131.68(7) 2_766 2_676 ?
O8 K3 O5 95.31(6) 2_766 2_676 ?
O3 K3 O5 52.42(6) 2_666 2_676 ?
O9 K3 O9 86.98(8) . 2_776 ?
O6 K3 O9 83.91(7) 2_676 2_776 ?
O7 K3 O9 138.31(7) 2_676 2_776 ?
O10 K3 O9 85.57(8) 2_766 2_776 ?
O8 K3 O9 132.58(6) 2_766 2_776 ?
O3 K3 O9 159.29(6) 2_666 2_776 ?
O5 K3 O9 126.26(6) 2_676 2_776 ?
O9 K3 B2 135.67(8) . 2_676 ?
O6 K3 B2 22.77(7) 2_676 2_676 ?
O7 K3 B2 58.26(7) 2_676 2_676 ?
O10 K3 B2 142.14(8) 2_766 2_676 ?
O8 K3 B2 116.98(8) 2_766 2_676 ?
O3 K3 B2 74.27(8) 2_666 2_676 ?
O5 K3 B2 22.97(7) 2_676 2_676 ?
O9 K3 B2 103.39(8) 2_776 2_676 ?
O9 K3 K2 54.55(6) . 2_666 ?
O6 K3 K2 129.04(6) 2_676 2_666 ?
O7 K3 K2 50.69(6) 2_676 2_666 ?
O10 K3 K2 85.58(8) 2_766 2_666 ?
O8 K3 K2 47.56(5) 2_766 2_666 ?
O3 K3 K2 55.60(5) 2_666 2_666 ?
O5 K3 K2 86.31(6) 2_676 2_666 ?
O9 K3 K2 141.44(6) 2_776 2_666 ?
B2 K3 K2 106.49(7) 2_676 2_666 ?
O9 K3 K1 155.08(7) . 2_766 ?
O6 K3 K1 52.91(6) 2_676 2_766 ?
O7 K3 K1 85.42(5) 2_676 2_766 ?
O10 K3 K1 88.91(6) 2_766 2_766 ?
O8 K3 K1 75.15(5) 2_766 2_766 ?
O3 K3 K1 46.77(5) 2_666 2_766 ?
O5 K3 K1 46.95(5) 2_676 2_766 ?
O9 K3 K1 114.91(5) 2_776 2_766 ?
B2 K3 K1 53.76(7) 2_676 2_766 ?
K2 K3 K1 102.36(4) 2_666 2_766 ?
O9 K3 P1 78.47(6) . 2_766 ?
O6 K3 P1 134.45(6) 2_676 2_766 ?
O7 K3 P1 110.43(6) 2_676 2_766 ?
O10 K3 P1 22.74(5) 2_766 2_766 ?
O8 K3 P1 24.67(4) 2_766 2_766 ?
O3 K3 P1 64.81(6) 2_666 2_766 ?
O5 K3 P1 116.21(5) 2_676 2_766 ?
O9 K3 P1 107.96(6) 2_776 2_766 ?
B2 K3 P1 134.65(7) 2_676 2_766 ?
K2 K3 P1 65.62(5) 2_666 2_766 ?
K1 K3 P1 83.24(4) 2_766 2_766 ?
B4 O1 B3 120.9(2) . . ?
B4 O1 K1 130.87(17) . 2_765 ?
B3 O1 K1 84.93(15) . 2_765 ?
B4 O1 K1 98.73(15) . . ?
B3 O1 K1 135.51(16) . . ?
K1 O1 K1 83.21(7) 2_765 . ?
B1 O2 B3 123.8(2) . 1_545 ?
B1 O2 K1 127.48(17) . 2_755 ?
B3 O2 K1 81.93(15) 1_545 2_755 ?
B1 O2 K1 95.12(16) . . ?
B3 O2 K1 136.42(15) 1_545 . ?
K1 O2 K1 89.49(7) 2_755 . ?
B1 O3 B4 123.6(2) . 1_455 ?
B1 O3 K1 115.81(17) . 1_455 ?
B4 O3 K1 100.12(16) 1_455 1_455 ?
B1 O3 K2 88.13(16) . . ?
B4 O3 K2 88.40(15) 1_455 . ?
K1 O3 K2 142.05(7) 1_455 . ?
B1 O3 K3 129.24(17) . 2_666 ?
B4 O3 K3 99.80(15) 1_455 2_666 ?
K1 O3 K3 75.77(7) 1_455 2_666 ?
K2 O3 K3 66.33(6) . 2_666 ?
B1 O4 B2 120.2(2) . . ?
B1 O4 K1 102.21(16) . . ?
B2 O4 K1 135.36(18) . . ?
B2 O5 B3 128.8(2) . . ?
B2 O5 K1 94.21(16) . 1_465 ?
B3 O5 K1 133.77(16) . 1_465 ?
B2 O5 K1 116.75(18) . 2_765 ?
B3 O5 K1 74.81(15) . 2_765 ?
K1 O5 K1 102.82(8) 1_465 2_765 ?
B2 O5 K3 80.13(18) . 2_676 ?
B3 O5 K3 95.90(16) . 2_676 ?
K1 O5 K3 73.14(7) 1_465 2_676 ?
K1 O5 K3 163.08(7) 2_765 2_676 ?
B2 O6 B4 124.3(2) . 1_455 ?
B2 O6 K3 103.92(17) . 2_676 ?
B4 O6 K3 118.85(17) 1_455 2_676 ?
B2 O6 K1 86.36(17) . 1_465 ?
B4 O6 K1 133.01(17) 1_455 1_465 ?
K3 O6 K1 79.18(8) 2_676 1_465 ?
B3 O7 P1 125.09(17) . . ?
B3 O7 K2 129.48(16) . 1_565 ?
P1 O7 K2 98.90(11) . 1_565 ?
B3 O7 K3 108.93(15) . 2_676 ?
P1 O7 K3 108.79(11) . 2_676 ?
K2 O7 K3 73.17(5) 1_565 2_676 ?
B4 O8 P1 123.97(17) . . ?
B4 O8 K2 105.49(15) . 1_655 ?
P1 O8 K2 130.51(12) . 1_655 ?
B4 O8 K3 99.99(16) . 2_766 ?
P1 O8 K3 96.66(12) . 2_766 ?
K2 O8 K3 71.52(6) 1_655 2_766 ?
P1 O9 K3 155.80(14) . . ?
P1 O9 K2 100.59(12) . 1_565 ?
K3 O9 K2 103.25(8) . 1_565 ?
P1 O9 K2 90.73(12) . 2_666 ?
K3 O9 K2 77.47(7) . 2_666 ?
K2 O9 K2 109.70(9) 1_565 2_666 ?
P1 O9 K3 97.08(11) . 2_776 ?
K3 O9 K3 93.02(8) . 2_776 ?
K2 O9 K3 74.92(8) 1_565 2_776 ?
K2 O9 K3 170.08(8) 2_666 2_776 ?
P1 O10 K2 164.58(17) . . ?
P1 O10 K2 99.28(13) . 2_666 ?
K2 O10 K2 86.52(8) . 2_666 ?
P1 O10 K3 105.80(14) . 2_766 ?
K2 O10 K3 83.29(10) . 2_766 ?
K2 O10 K3 119.32(10) 2_666 2_766 ?
O2 B1 O3 124.7(3) . . ?
O2 B1 O4 114.5(2) . . ?
O3 B1 O4 120.7(2) . . ?
O2 B1 K1 60.93(14) . . ?
O3 B1 K1 172.2(2) . . ?
O4 B1 K1 53.63(12) . . ?
O2 B1 K2 100.36(17) . . ?
O3 B1 K2 68.19(15) . . ?
O4 B1 K2 99.69(18) . . ?
K1 B1 K2 106.36(9) . . ?
O5 B2 O6 119.4(2) . . ?
O5 B2 O4 120.6(3) . . ?
O6 B2 O4 120.0(3) . . ?
O5 B2 K1 61.22(15) . 1_465 ?
O6 B2 K1 68.88(15) . 1_465 ?
O4 B2 K1 144.8(2) . 1_465 ?
O5 B2 K3 76.91(17) . 2_676 ?
O6 B2 K3 53.30(14) . 2_676 ?
O4 B2 K3 146.3(2) . 2_676 ?
K1 B2 K3 68.16(8) 1_465 2_676 ?
O1 B3 O2 111.0(2) . 1_565 ?
O1 B3 O5 112.2(2) . . ?
O2 B3 O5 107.1(2) 1_565 . ?
O1 B3 O7 110.6(2) . . ?
O2 B3 O7 107.3(2) 1_565 . ?
O5 B3 O7 108.6(2) . . ?
O1 B3 K1 66.93(14) . 2_765 ?
O2 B3 K1 69.50(14) 1_565 2_765 ?
O5 B3 K1 77.38(16) . 2_765 ?
O7 B3 K1 173.99(19) . 2_765 ?
O1 B4 O3 110.4(2) . 1_655 ?
O1 B4 O6 113.2(2) . 1_655 ?
O3 B4 O6 110.4(2) 1_655 1_655 ?
O1 B4 O8 111.6(2) . . ?
O3 B4 O8 104.5(2) 1_655 . ?
O6 B4 O8 106.3(2) 1_655 . ?
O1 B4 K1 56.68(13) . . ?
O3 B4 K1 54.38(13) 1_655 . ?
O6 B4 K1 138.17(19) 1_655 . ?
O8 B4 K1 115.10(18) . . ?
O1 B4 K2 154.02(19) . 1_655 ?
O3 B4 K2 66.10(14) 1_655 1_655 ?
O6 B4 K2 91.15(17) 1_655 1_655 ?
O8 B4 K2 49.58(12) . 1_655 ?
K1 B4 K2 110.85(9) . 1_655 ?

_refine_diff_density_max         0.703
_refine_diff_density_min         -0.778
_refine_diff_density_rms         0.095



####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2039932'
loop_
_audit_author_name
_audit_author_address
'Ying Hou'
;Tianjin University of Technology
China
;
_audit_update_record             
;
2020-10-22 deposited with the CCDC.	2020-12-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'K2 Rb B4 P1 O10'
_chemical_formula_weight         397.88

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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 '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                   6.5577(17)
_cell_length_b                   6.5931(17)
_cell_length_c                   13.098(3)
_cell_angle_alpha                84.626(9)
_cell_angle_beta                 80.514(9)
_cell_angle_gamma                60.457(8)
_cell_volume                     485.9(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    4470
_cell_measurement_theta_min      3.15
_cell_measurement_theta_max      27.47

_exptl_crystal_description       slice
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.719
_exptl_crystal_F_000             380
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.189
_exptl_crystal_size_mid          0.164
_exptl_crystal_size_min          0.065
_exptl_absorpt_coefficient_mu    6.158
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.2033
_exptl_absorpt_correction_T_max  0.2617
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8699
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.154
_diffrn_reflns_theta_max         27.529
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             2234
_reflns_number_gt                1851
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2234
_refine_ls_number_parameters     163
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0437
_refine_ls_wR_factor_ref         0.1529
_refine_ls_wR_factor_gt          0.1399
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_restrained_S_all      1.098
_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
Rb1 Rb 0.86776(10) 0.92927(10) 0.65355(5) 0.0370(2) Uani 1 1 d . . . . .
K1 K 1.09796(17) 0.20218(17) 0.06298(8) 0.0185(3) Uani 1 1 d . . . . .
K2 K 0.4674(2) 0.3259(2) 0.40220(9) 0.0247(3) Uani 1 1 d . . . . .
P1 P 0.8010(2) 0.7256(2) 0.36813(9) 0.0180(3) Uani 1 1 d . . . . .
O1 O 0.9457(6) 0.6558(5) 0.1433(2) 0.0162(7) Uani 1 1 d . . . . .
O2 O 0.7298(5) 0.0721(5) 0.1182(3) 0.0188(7) Uani 1 1 d . . . . .
O3 O 0.3260(5) 0.3494(6) 0.1741(3) 0.0184(7) Uani 1 1 d . . . . .
O4 O 0.6220(6) 0.4623(6) 0.1179(3) 0.0270(9) Uani 1 1 d . . . . .
O5 O 0.2334(6) 0.7536(6) 0.1822(3) 0.0225(8) Uani 1 1 d . . . . .
O6 O 0.5268(6) 0.8577(6) 0.1338(3) 0.0224(8) Uani 1 1 d . . . . .
O7 O 0.6674(6) 0.9103(6) 0.2837(3) 0.0264(8) Uani 1 1 d . . . . .
O8 O 1.0638(6) 0.5848(6) 0.3145(3) 0.0269(8) Uani 1 1 d . . . . .
O9 O 0.7923(7) 0.8621(6) 0.4567(3) 0.0285(8) Uani 1 1 d . . . . .
O10 O 0.6988(8) 0.5660(7) 0.3970(3) 0.0348(9) Uani 1 1 d . . . . .
B1 B 0.7231(9) 0.8646(9) 0.1676(4) 0.0166(10) Uani 1 1 d . . . . .
B2 B 0.5541(9) 0.2909(9) 0.1369(4) 0.0157(10) Uani 1 1 d . . . . .
B3 B 0.4617(9) 0.6902(9) 0.1460(4) 0.0174(10) Uani 1 1 d . . . . .
B4 B 1.1382(9) 0.5898(8) 0.1998(4) 0.0159(10) 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
Rb1 O9 2.818(4) . ?
Rb1 O5 2.905(4) 2_676 ?
Rb1 O7 3.108(4) 2_676 ?
Rb1 O10 3.132(5) 2_766 ?
Rb1 O8 3.188(4) 2_766 ?
Rb1 O9 3.246(4) 2_776 ?
Rb1 O3 3.266(3) 2_666 ?
Rb1 O6 3.346(4) 2_676 ?
Rb1 B3 3.446(5) 2_676 ?
Rb1 O8 3.518(4) 2_776 ?
Rb1 K2 3.5492(14) 2_666 ?
Rb1 K1 3.7509(15) 2_766 ?
K1 O4 2.723(3) . ?
K1 O3 2.778(4) 1_655 ?
K1 O1 2.789(3) 2_765 ?
K1 O2 2.843(4) 2_755 ?
K1 O6 2.845(3) 1_645 ?
K1 O1 2.889(3) . ?
K1 O2 2.905(3) . ?
K1 O5 2.996(4) 1_645 ?
K1 B1 3.043(6) 2_765 ?
K1 O6 3.162(4) 2_765 ?
K1 B3 3.240(5) 1_645 ?
K1 B2 3.303(5) . ?
K2 O10 2.670(4) . ?
K2 O10 2.694(4) 2_666 ?
K2 O8 2.724(4) 1_455 ?
K2 O9 2.840(4) 1_545 ?
K2 O7 2.866(4) 1_545 ?
K2 O9 2.910(4) 2_666 ?
K2 O3 3.239(4) . ?
K2 P1 3.3038(18) 2_666 ?
K2 B2 3.438(5) . ?
K2 B4 3.469(5) 1_455 ?
K2 P1 3.4812(19) 1_545 ?
P1 O10 1.496(4) . ?
P1 O9 1.510(4) . ?
P1 O8 1.572(4) . ?
P1 O7 1.577(4) . ?
O1 B4 1.427(6) . ?
O1 B1 1.440(6) . ?
O2 B2 1.343(6) . ?
O2 B1 1.475(6) 1_545 ?
O3 B2 1.360(6) . ?
O3 B4 1.476(6) 1_455 ?
O4 B3 1.384(6) . ?
O4 B2 1.395(6) . ?
O5 B3 1.351(6) . ?
O5 B4 1.477(6) 1_455 ?
O6 B3 1.355(6) . ?
O6 B1 1.450(6) . ?
O7 B1 1.528(6) . ?
O8 B4 1.504(6) . ?

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
O9 Rb1 O5 148.71(11) . 2_676 ?
O9 Rb1 O7 84.80(11) . 2_676 ?
O5 Rb1 O7 81.19(10) 2_676 2_676 ?
O9 Rb1 O10 79.66(11) . 2_766 ?
O5 Rb1 O10 129.96(10) 2_676 2_766 ?
O7 Rb1 O10 131.01(10) 2_676 2_766 ?
O9 Rb1 O8 80.36(10) . 2_766 ?
O5 Rb1 O8 125.66(10) 2_676 2_766 ?
O7 Rb1 O8 84.89(10) 2_676 2_766 ?
O10 Rb1 O8 46.90(10) 2_766 2_766 ?
O9 Rb1 O9 89.47(11) . 2_776 ?
O5 Rb1 O9 83.41(10) 2_676 2_776 ?
O7 Rb1 O9 139.50(10) 2_676 2_776 ?
O10 Rb1 O9 86.76(10) 2_766 2_776 ?
O8 Rb1 O9 133.54(9) 2_766 2_776 ?
O9 Rb1 O3 108.66(10) . 2_666 ?
O5 Rb1 O3 86.85(10) 2_676 2_666 ?
O7 Rb1 O3 57.25(9) 2_676 2_666 ?
O10 Rb1 O3 84.48(9) 2_766 2_666 ?
O8 Rb1 O3 43.02(9) 2_766 2_666 ?
O9 Rb1 O3 158.00(9) 2_776 2_666 ?
O9 Rb1 O6 128.60(10) . 2_676 ?
O5 Rb1 O6 42.88(9) 2_676 2_676 ?
O7 Rb1 O6 43.89(9) 2_676 2_676 ?
O10 Rb1 O6 131.91(10) 2_766 2_676 ?
O8 Rb1 O6 94.97(9) 2_766 2_676 ?
O9 Rb1 O6 125.18(9) 2_776 2_676 ?
O3 Rb1 O6 52.00(8) 2_666 2_676 ?
O9 Rb1 B3 135.82(12) . 2_676 ?
O5 Rb1 B3 22.57(11) 2_676 2_676 ?
O7 Rb1 B3 58.70(11) 2_676 2_676 ?
O10 Rb1 B3 142.55(12) 2_766 2_676 ?
O8 Rb1 B3 116.48(11) 2_766 2_676 ?
O9 Rb1 B3 102.31(11) 2_776 2_676 ?
O3 Rb1 B3 73.64(11) 2_666 2_676 ?
O6 Rb1 B3 22.96(10) 2_676 2_676 ?
O9 Rb1 O8 117.76(10) . 2_776 ?
O5 Rb1 O8 42.32(9) 2_676 2_776 ?
O7 Rb1 O8 106.18(9) 2_676 2_776 ?
O10 Rb1 O8 122.22(10) 2_766 2_776 ?
O8 Rb1 O8 159.01(12) 2_766 2_776 ?
O9 Rb1 O8 43.39(9) 2_776 2_776 ?
O3 Rb1 O8 129.08(9) 2_666 2_776 ?
O6 Rb1 O8 81.95(8) 2_676 2_776 ?
B3 Rb1 O8 59.00(11) 2_676 2_776 ?
O9 Rb1 K2 52.88(8) . 2_666 ?
O5 Rb1 K2 129.26(7) 2_676 2_666 ?
O7 Rb1 K2 50.47(7) 2_676 2_666 ?
O10 Rb1 K2 84.14(8) 2_766 2_666 ?
O8 Rb1 K2 47.32(7) 2_766 2_666 ?
O9 Rb1 K2 142.26(7) 2_776 2_666 ?
O3 Rb1 K2 56.57(7) 2_666 2_666 ?
O6 Rb1 K2 86.71(6) 2_676 2_666 ?
B3 Rb1 K2 107.09(9) 2_676 2_666 ?
O8 Rb1 K2 151.94(6) 2_776 2_666 ?
O9 Rb1 K1 153.79(8) . 2_766 ?
O5 Rb1 K1 51.62(8) 2_676 2_766 ?
O7 Rb1 K1 84.36(7) 2_676 2_766 ?
O10 Rb1 K1 89.67(8) 2_766 2_766 ?
O8 Rb1 K1 74.95(7) 2_766 2_766 ?
O9 Rb1 K1 113.96(7) 2_776 2_766 ?
O3 Rb1 K1 46.00(6) 2_666 2_766 ?
O6 Rb1 K1 46.84(6) 2_676 2_766 ?
B3 Rb1 K1 53.30(9) 2_676 2_766 ?
O8 Rb1 K1 88.20(6) 2_776 2_766 ?
K2 Rb1 K1 102.55(3) 2_666 2_766 ?
O4 K1 O3 108.96(11) . 1_655 ?
O4 K1 O1 91.08(11) . 2_765 ?
O3 K1 O1 118.99(11) 1_655 2_765 ?
O4 K1 O2 118.94(11) . 2_755 ?
O3 K1 O2 130.14(10) 1_655 2_755 ?
O1 K1 O2 50.61(9) 2_765 2_755 ?
O4 K1 O6 144.14(12) . 1_645 ?
O3 K1 O6 62.07(10) 1_655 1_645 ?
O1 K1 O6 124.22(11) 2_765 1_645 ?
O2 K1 O6 84.83(11) 2_755 1_645 ?
O4 K1 O1 65.47(10) . . ?
O3 K1 O1 49.67(9) 1_655 . ?
O1 K1 O1 96.49(9) 2_765 . ?
O2 K1 O1 145.05(10) 2_755 . ?
O6 K1 O1 111.31(10) 1_645 . ?
O4 K1 O2 48.28(10) . . ?
O3 K1 O2 134.27(11) 1_655 . ?
O1 K1 O2 102.38(10) 2_765 . ?
O2 K1 O2 90.49(9) 2_755 . ?
O6 K1 O2 110.67(10) 1_645 . ?
O1 K1 O2 110.60(10) . . ?
O4 K1 O5 104.66(10) . 1_645 ?
O3 K1 O5 94.73(10) 1_655 1_645 ?
O1 K1 O5 135.90(10) 2_765 1_645 ?
O2 K1 O5 86.36(10) 2_755 1_645 ?
O6 K1 O5 46.75(9) 1_645 1_645 ?
O1 K1 O5 127.58(10) . 1_645 ?
O2 K1 O5 63.93(9) . 1_645 ?
O4 K1 B1 116.86(13) . 2_765 ?
O3 K1 B1 115.43(13) 1_655 2_765 ?
O1 K1 B1 28.16(11) 2_765 2_765 ?
O2 K1 B1 28.77(11) 2_755 2_765 ?
O6 K1 B1 96.93(13) 1_645 2_765 ?
O1 K1 B1 116.38(12) . 2_765 ?
O2 K1 B1 110.23(13) . 2_765 ?
O5 K1 B1 113.57(12) 1_645 2_765 ?
O4 K1 O6 137.49(11) . 2_765 ?
O3 K1 O6 89.36(10) 1_655 2_765 ?
O1 K1 O6 47.28(9) 2_765 2_765 ?
O2 K1 O6 45.70(9) 2_755 2_765 ?
O6 K1 O6 78.36(11) 1_645 2_765 ?
O1 K1 O6 105.46(9) . 2_765 ?
O2 K1 O6 135.38(10) . 2_765 ?
O5 K1 O6 111.83(9) 1_645 2_765 ?
B1 K1 O6 26.94(11) 2_765 2_765 ?
O4 K1 B3 129.15(13) . 1_645 ?
O3 K1 B3 83.59(12) 1_655 1_645 ?
O1 K1 B3 126.45(12) 2_765 1_645 ?
O2 K1 B3 77.16(12) 2_755 1_645 ?
O6 K1 B3 24.66(11) 1_645 1_645 ?
O1 K1 B3 129.45(12) . 1_645 ?
O2 K1 B3 87.14(12) . 1_645 ?
O5 K1 B3 24.64(12) 1_645 1_645 ?
B1 K1 B3 98.97(14) 2_765 1_645 ?
O6 K1 B3 89.77(12) 2_765 1_645 ?
O4 K1 B2 24.41(11) . . ?
O3 K1 B2 123.63(12) 1_655 . ?
O1 K1 B2 98.10(12) 2_765 . ?
O2 K1 B2 106.07(11) 2_755 . ?
O6 K1 B2 128.92(12) 1_645 . ?
O1 K1 B2 88.00(11) . . ?
O2 K1 B2 23.89(10) . . ?
O5 K1 B2 83.54(11) 1_645 . ?
B1 K1 B2 116.59(14) 2_765 . ?
O6 K1 B2 143.26(12) 2_765 . ?
B3 K1 B2 108.01(14) 1_645 . ?
O10 K2 O10 89.74(12) . 2_666 ?
O10 K2 O8 109.79(13) . 1_455 ?
O10 K2 O8 100.73(13) 2_666 1_455 ?
O10 K2 O9 105.30(13) . 1_545 ?
O10 K2 O9 91.08(12) 2_666 1_545 ?
O8 K2 O9 142.86(13) 1_455 1_545 ?
O10 K2 O7 120.47(13) . 1_545 ?
O10 K2 O7 135.04(12) 2_666 1_545 ?
O8 K2 O7 98.93(12) 1_455 1_545 ?
O9 K2 O7 51.38(10) 1_545 1_545 ?
O10 K2 O9 142.52(13) . 2_666 ?
O10 K2 O9 53.61(11) 2_666 2_666 ?
O8 K2 O9 87.14(12) 1_455 2_666 ?
O9 K2 O9 71.79(13) 1_545 2_666 ?
O7 K2 O9 87.72(11) 1_545 2_666 ?
O10 K2 O3 108.50(11) . . ?
O10 K2 O3 145.30(12) 2_666 . ?
O8 K2 O3 45.78(10) 1_455 . ?
O9 K2 O3 111.10(10) 1_545 . ?
O7 K2 O3 59.72(9) 1_545 . ?
O9 K2 O3 107.11(10) 2_666 . ?
O10 K2 P1 115.68(10) . 2_666 ?
O10 K2 P1 26.46(9) 2_666 2_666 ?
O8 K2 P1 95.60(9) 1_455 2_666 ?
O9 K2 P1 79.59(8) 1_545 2_666 ?
O7 K2 P1 111.76(9) 1_545 2_666 ?
O9 K2 P1 27.19(8) 2_666 2_666 ?
O3 K2 P1 129.75(7) . 2_666 ?
O10 K2 B2 92.38(12) . . ?
O10 K2 B2 166.88(13) 2_666 . ?
O8 K2 B2 66.39(12) 1_455 . ?
O9 K2 B2 100.83(12) 1_545 . ?
O7 K2 B2 53.36(11) 1_545 . ?
O9 K2 B2 125.08(12) 2_666 . ?
O3 K2 B2 23.25(10) . . ?
P1 K2 B2 151.01(10) 2_666 . ?
O10 K2 B4 100.98(13) . 1_455 ?
O10 K2 B4 124.43(13) 2_666 1_455 ?
O8 K2 B4 24.53(11) 1_455 1_455 ?
O9 K2 B4 135.59(12) 1_545 1_455 ?
O7 K2 B4 84.45(11) 1_545 1_455 ?
O9 K2 B4 106.28(12) 2_666 1_455 ?
O3 K2 B4 25.13(10) . 1_455 ?
P1 K2 B4 119.49(9) 2_666 1_455 ?
B2 K2 B4 42.48(12) . 1_455 ?
O10 K2 P1 117.86(11) . 1_545 ?
O10 K2 P1 111.66(10) 2_666 1_545 ?
O8 K2 P1 121.07(9) 1_455 1_545 ?
O9 K2 P1 25.11(8) 1_545 1_545 ?
O7 K2 P1 26.58(7) 1_545 1_545 ?
O9 K2 P1 75.72(8) 2_666 1_545 ?
O3 K2 P1 86.14(7) . 1_545 ?
P1 K2 P1 93.33(4) 2_666 1_545 ?
B2 K2 P1 78.67(9) . 1_545 ?
B4 K2 P1 110.48(9) 1_455 1_545 ?
O10 K2 Rb1 165.57(10) . 2_666 ?
O10 K2 Rb1 101.34(9) 2_666 2_666 ?
O8 K2 Rb1 59.35(9) 1_455 2_666 ?
O9 K2 Rb1 83.91(9) 1_545 2_666 ?
O7 K2 Rb1 56.77(8) 1_545 2_666 ?
O9 K2 Rb1 50.56(8) 2_666 2_666 ?
O3 K2 Rb1 57.30(6) . 2_666 ?
P1 K2 Rb1 76.48(4) 2_666 2_666 ?
B2 K2 Rb1 74.76(9) . 2_666 ?
B4 K2 Rb1 65.14(9) 1_455 2_666 ?
P1 K2 Rb1 66.70(4) 1_545 2_666 ?
O10 P1 O9 114.9(2) . . ?
O10 P1 O8 110.1(2) . . ?
O9 P1 O8 109.3(2) . . ?
O10 P1 O7 110.9(2) . . ?
O9 P1 O7 106.5(2) . . ?
O8 P1 O7 104.57(19) . . ?
O10 P1 K2 53.38(16) . 2_666 ?
O9 P1 K2 61.71(16) . 2_666 ?
O8 P1 K2 132.32(14) . 2_666 ?
O7 P1 K2 123.06(14) . 2_666 ?
O10 P1 K2 122.43(18) . 1_565 ?
O9 P1 K2 52.96(15) . 1_565 ?
O8 P1 K2 127.26(16) . 1_565 ?
O7 P1 K2 54.41(14) . 1_565 ?
K2 P1 K2 86.67(4) 2_666 1_565 ?
O10 P1 Rb1 53.91(18) . 2_766 ?
O9 P1 Rb1 125.77(15) . 2_766 ?
O8 P1 Rb1 56.58(15) . 2_766 ?
O7 P1 Rb1 127.47(15) . 2_766 ?
K2 P1 Rb1 89.43(4) 2_666 2_766 ?
K2 P1 Rb1 175.93(4) 1_565 2_766 ?
O10 P1 Rb1 167.34(18) . 2_776 ?
O9 P1 Rb1 57.01(16) . 2_776 ?
O8 P1 Rb1 67.30(16) . 2_776 ?
O7 P1 Rb1 81.57(16) . 2_776 ?
K2 P1 Rb1 118.34(4) 2_666 2_776 ?
K2 P1 Rb1 62.33(3) 1_565 2_776 ?
Rb1 P1 Rb1 120.82(4) 2_766 2_776 ?
O10 P1 Rb1 71.57(18) . 2_676 ?
O9 P1 Rb1 96.42(16) . 2_676 ?
O8 P1 Rb1 149.35(14) . 2_676 ?
O7 P1 Rb1 50.44(14) . 2_676 ?
K2 P1 Rb1 74.51(4) 2_666 2_676 ?
K2 P1 Rb1 57.49(3) 1_565 2_676 ?
Rb1 P1 Rb1 120.23(4) 2_766 2_676 ?
Rb1 P1 Rb1 117.35(4) 2_776 2_676 ?
B4 O1 B1 121.3(4) . . ?
B4 O1 K1 129.8(3) . 2_765 ?
B1 O1 K1 85.8(3) . 2_765 ?
B4 O1 K1 97.7(2) . . ?
B1 O1 K1 136.1(3) . . ?
K1 O1 K1 83.51(9) 2_765 . ?
B2 O2 B1 123.3(4) . 1_545 ?
B2 O2 K1 131.5(3) . 2_755 ?
B1 O2 K1 83.2(3) 1_545 2_755 ?
B2 O2 K1 94.9(3) . . ?
B1 O2 K1 134.2(3) 1_545 . ?
K1 O2 K1 89.51(9) 2_755 . ?
B2 O3 B4 123.8(4) . 1_455 ?
B2 O3 K1 117.2(3) . 1_455 ?
B4 O3 K1 101.2(3) 1_455 1_455 ?
B2 O3 K2 86.6(3) . . ?
B4 O3 K2 86.2(3) 1_455 . ?
K1 O3 K2 142.36(12) 1_455 . ?
B2 O3 Rb1 128.2(3) . 2_666 ?
B4 O3 Rb1 98.6(2) 1_455 2_666 ?
K1 O3 Rb1 76.25(8) 1_455 2_666 ?
K2 O3 Rb1 66.14(7) . 2_666 ?
B3 O4 B2 119.7(4) . . ?
B3 O4 K1 137.3(3) . . ?
B2 O4 K1 101.8(3) . . ?
B3 O5 B4 124.0(4) . 1_455 ?
B3 O5 Rb1 101.8(3) . 2_676 ?
B4 O5 Rb1 118.7(3) 1_455 2_676 ?
B3 O5 K1 87.8(3) . 1_465 ?
B4 O5 K1 134.2(3) 1_455 1_465 ?
Rb1 O5 K1 78.91(9) 2_676 1_465 ?
B3 O6 B1 130.7(4) . . ?
B3 O6 K1 94.2(3) . 1_465 ?
B1 O6 K1 133.9(3) . 1_465 ?
B3 O6 K1 114.5(3) . 2_765 ?
B1 O6 K1 71.9(3) . 2_765 ?
K1 O6 K1 101.64(11) 1_465 2_765 ?
B3 O6 Rb1 82.7(3) . 2_676 ?
B1 O6 Rb1 98.7(3) . 2_676 ?
K1 O6 Rb1 74.08(8) 1_465 2_676 ?
K1 O6 Rb1 162.76(12) 2_765 2_676 ?
B1 O7 P1 124.2(3) . . ?
B1 O7 K2 133.1(3) . 1_565 ?
P1 O7 K2 99.01(17) . 1_565 ?
B1 O7 Rb1 106.9(3) . 2_676 ?
P1 O7 Rb1 106.54(18) . 2_676 ?
K2 O7 Rb1 72.76(8) 1_565 2_676 ?
B4 O8 P1 123.9(3) . . ?
B4 O8 K2 106.7(3) . 1_655 ?
P1 O8 K2 129.2(2) . 1_655 ?
B4 O8 Rb1 101.2(3) . 2_766 ?
P1 O8 Rb1 99.12(18) . 2_766 ?
K2 O8 Rb1 73.33(9) 1_655 2_766 ?
B4 O8 Rb1 90.6(2) . 2_776 ?
P1 O8 Rb1 88.36(16) . 2_776 ?
K2 O8 Rb1 86.72(11) 1_655 2_776 ?
Rb1 O8 Rb1 159.01(12) 2_766 2_776 ?
P1 O9 Rb1 156.5(2) . . ?
P1 O9 K2 101.93(18) . 1_565 ?
Rb1 O9 K2 100.90(12) . 1_565 ?
P1 O9 K2 91.10(18) . 2_666 ?
Rb1 O9 K2 76.56(10) . 2_666 ?
K2 O9 K2 108.21(13) 1_565 2_666 ?
P1 O9 Rb1 100.03(18) . 2_776 ?
Rb1 O9 Rb1 90.53(11) . 2_776 ?
K2 O9 Rb1 76.57(10) 1_565 2_776 ?
K2 O9 Rb1 166.80(14) 2_666 2_776 ?
P1 O10 K2 164.9(3) . . ?
P1 O10 K2 100.2(2) . 2_666 ?
K2 O10 K2 90.26(12) . 2_666 ?
P1 O10 Rb1 103.4(2) . 2_766 ?
K2 O10 Rb1 80.99(11) . 2_766 ?
K2 O10 Rb1 117.61(15) 2_666 2_766 ?
O1 B1 O6 113.0(4) . . ?
O1 B1 O2 111.3(4) . 1_565 ?
O6 B1 O2 106.9(4) . 1_565 ?
O1 B1 O7 110.9(4) . . ?
O6 B1 O7 108.8(4) . . ?
O2 B1 O7 105.5(4) 1_565 . ?
O1 B1 K1 66.0(2) . 2_765 ?
O6 B1 K1 81.1(3) . 2_765 ?
O2 B1 K1 68.1(2) 1_565 2_765 ?
O7 B1 K1 169.7(3) . 2_765 ?
O2 B2 O3 124.6(4) . . ?
O2 B2 O4 114.9(4) . . ?
O3 B2 O4 120.4(4) . . ?
O2 B2 K1 61.2(2) . . ?
O3 B2 K1 173.0(3) . . ?
O4 B2 K1 53.8(2) . . ?
O2 B2 K2 103.8(3) . . ?
O3 B2 K2 70.1(3) . . ?
O4 B2 K2 95.8(3) . . ?
K1 B2 K2 105.52(15) . . ?
O5 B3 O6 118.1(4) . . ?
O5 B3 O4 120.9(4) . . ?
O6 B3 O4 120.9(4) . . ?
O5 B3 K1 67.6(2) . 1_465 ?
O6 B3 K1 61.2(2) . 1_465 ?
O4 B3 K1 144.9(4) . 1_465 ?
O5 B3 Rb1 55.6(2) . 2_676 ?
O6 B3 Rb1 74.4(3) . 2_676 ?
O4 B3 Rb1 146.4(4) . 2_676 ?
K1 B3 Rb1 68.17(10) 1_465 2_676 ?
O1 B4 O3 110.3(4) . 1_655 ?
O1 B4 O5 112.3(4) . 1_655 ?
O3 B4 O5 110.9(4) 1_655 1_655 ?
O1 B4 O8 111.4(4) . . ?
O3 B4 O8 105.2(4) 1_655 . ?
O5 B4 O8 106.5(4) 1_655 . ?
O1 B4 K1 57.6(2) . . ?
O3 B4 K1 53.5(2) 1_655 . ?
O5 B4 K1 138.4(3) 1_655 . ?
O8 B4 K1 114.8(3) . . ?
O1 B4 K2 154.9(3) . 1_655 ?
O3 B4 K2 68.7(2) 1_655 1_655 ?
O5 B4 K2 90.3(3) 1_655 1_655 ?
O8 B4 K2 48.8(2) . 1_655 ?
K1 B4 K2 112.30(14) . 1_655 ?
O1 B4 Rb1 98.7(3) . 2_766 ?
O3 B4 Rb1 58.7(2) 1_655 2_766 ?
O5 B4 Rb1 148.7(3) 1_655 2_766 ?
O8 B4 Rb1 55.8(2) . 2_766 ?
K1 B4 Rb1 62.82(9) . 2_766 ?
K2 B4 Rb1 58.45(8) 1_655 2_766 ?

_refine_diff_density_max         0.745
_refine_diff_density_min         -1.199
_refine_diff_density_rms         0.135



