# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_collect
_database_code_depnum_ccdc_archive 'CCDC 2385820'
loop_
_audit_author_name
_audit_author_address
'Huanhuan Zhao'
;Xinjiang Institute of Physics and Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2024-09-23 deposited with the CCDC.	2024-12-22 downloaded from the CCDC.
;
_audit_creation_date             2024-09-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        LiNH4BPO
_chemical_formula_moiety         'B2 Li O9 P2, H4 N'
_chemical_formula_sum            'B2 H4 Li N O9 P2'
_chemical_formula_weight         252.54
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   7.1922(5)
_cell_length_b                   7.3988(5)
_cell_length_c                   12.7559(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     678.79(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3121
_cell_measurement_temperature    252.0
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.18
_shelx_estimated_absorpt_T_max   0.935
_shelx_estimated_absorpt_T_min   0.923
_exptl_absorpt_coefficient_mu    0.678
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6154
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0988 before and 0.0816 after correction.
The Ratio of minimum to maximum transmission is 0.8254.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.471
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_unetI/netI     0.0548
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5431
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         3.183
_diffrn_ambient_temperature      252.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.678
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                1434
_reflns_number_total             1554
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.486
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.098
_refine_ls_abs_structure_details 
;
 Flack x determined using 548 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.09(10)
_refine_ls_extinction_coef       0.014(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         1554
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0363
_refine_ls_restrained_S_all      1.111
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0119P)²+1.0114P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0829
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 H1D-N1 = N1-H1A
 0.9 with sigma of 0.02
 H1D-H1A
 1.47 with sigma of 0.04
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.8917(13) 0.3949(11) 0.2606(7) 0.0220(18) Uani 1 1 d . . . . .
N1 N 0.9093(7) 0.6127(7) 0.5026(4) 0.0193(10) Uani 1 1 d D . . . .
B1 B 0.2636(7) 0.5444(7) 0.2479(4) 0.0098(10) Uani 1 1 d . . . . .
B2 B 0.2345(7) 0.3469(7) 0.4028(4) 0.0087(10) Uani 1 1 d . . . . .
P1 P 0.60112(17) 0.71148(17) 0.26642(9) 0.0120(3) Uani 1 1 d . . . . .
P2 P 0.46298(16) 0.41730(16) 0.57726(9) 0.0095(3) Uani 1 1 d . . . . .
O1 O 0.3954(4) 0.6768(4) 0.2921(2) 0.0117(7) Uani 1 1 d . . . . .
O2 O 0.1483(4) 0.6552(4) 0.1739(2) 0.0114(7) Uani 1 1 d . . . . .
O3 O 0.3641(4) 0.4029(4) 0.1873(2) 0.0120(7) Uani 1 1 d . . . . .
O4 O 0.1499(4) 0.4649(4) 0.3272(2) 0.0095(7) Uani 1 1 d . . . . .
O5 O 0.0906(5) 0.2394(4) 0.4570(2) 0.0120(7) Uani 1 1 d . . . . .
O6 O 0.3742(4) 0.2265(5) 0.3536(2) 0.0121(7) Uani 1 1 d . . . . .
O7 O 0.3286(4) 0.4555(4) 0.4860(2) 0.0105(7) Uani 1 1 d . . . . .
O8 O 0.5635(4) 0.5860(5) 0.6082(3) 0.0142(7) Uani 1 1 d . . . . .
O9 O 0.7237(5) 0.5720(5) 0.3135(3) 0.0197(8) Uani 1 1 d . . . . .
H1A H 0.827(7) 0.668(8) 0.545(4) 0.04(2) Uiso 1 1 d D . . . .
H1B H 0.980(14) 0.531(16) 0.528(8) 0.10(4) Uiso 1 1 d . . . . .
H1C H 0.988(12) 0.692(12) 0.475(6) 0.06(3) Uiso 1 1 d . . . . .
H1D H 0.830(9) 0.583(13) 0.449(5) 0.10(3) Uiso 1 1 d 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
Li1 B1 2.826(10) 3_645 ?
Li1 P2 2.913(9) 2_664 ?
Li1 O2 1.982(9) 3_645 ?
Li1 O4 2.107(10) 1_655 ?
Li1 O8 1.975(9) 2_664 ?
Li1 O9 1.906(9) . ?
N1 H1A 0.90(3) . ?
N1 H1B 0.85(12) . ?
N1 H1C 0.89(9) . ?
N1 H1D 0.92(3) . ?
B1 Li1 2.826(10) 3_655 ?
B1 O1 1.475(6) . ?
B1 O2 1.500(6) . ?
B1 O3 1.488(6) . ?
B1 O4 1.427(6) . ?
B2 O4 1.436(6) . ?
B2 O5 1.477(6) . ?
B2 O6 1.482(6) . ?
B2 O7 1.494(6) . ?
P1 O1 1.537(3) . ?
P1 O3 1.555(3) 3_655 ?
P1 O6 1.546(3) 3_655 ?
P1 O9 1.484(4) . ?
P2 Li1 2.913(9) 2_665 ?
P2 O2 1.565(3) 2_565 ?
P2 O5 1.542(3) 4_556 ?
P2 O7 1.539(3) . ?
P2 O8 1.495(3) . ?
O2 Li1 1.982(9) 3_655 ?
O2 P2 1.565(3) 2_564 ?
O3 P1 1.555(3) 3_645 ?
O4 Li1 2.107(10) 1_455 ?
O5 P2 1.542(3) 4_456 ?
O6 P1 1.546(3) 3_645 ?
O8 Li1 1.975(9) 2_665 ?

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
B1 Li1 P2 123.3(3) 3_645 2_664 ?
O2 Li1 B1 30.4(2) 3_645 3_645 ?
O2 Li1 P2 144.8(4) 3_645 2_664 ?
O2 Li1 O4 100.2(4) 3_645 1_655 ?
O4 Li1 B1 126.1(4) 1_655 3_645 ?
O4 Li1 P2 83.7(3) 1_655 2_664 ?
O8 Li1 B1 95.3(4) 2_664 3_645 ?
O8 Li1 P2 28.09(16) 2_664 2_664 ?
O8 Li1 O2 120.2(5) 2_664 3_645 ?
O8 Li1 O4 103.6(4) 2_664 1_655 ?
O9 Li1 B1 113.2(4) . 3_645 ?
O9 Li1 P2 100.6(3) . 2_664 ?
O9 Li1 O2 111.9(4) . 3_645 ?
O9 Li1 O4 104.3(4) . 1_655 ?
O9 Li1 O8 113.7(5) . 2_664 ?
H1A N1 H1B 120(8) . . ?
H1A N1 H1C 111(6) . . ?
H1A N1 H1D 99(5) . . ?
H1B N1 H1C 104(8) . . ?
H1B N1 H1D 119(9) . . ?
H1C N1 H1D 105(7) . . ?
O1 B1 Li1 70.1(3) . 3_655 ?
O1 B1 O2 103.4(4) . . ?
O1 B1 O3 110.7(4) . . ?
O2 B1 Li1 41.9(3) . 3_655 ?
O3 B1 Li1 144.8(4) . 3_655 ?
O3 B1 O2 109.0(4) . . ?
O4 B1 Li1 100.3(3) . 3_655 ?
O4 B1 O1 111.8(4) . . ?
O4 B1 O2 110.8(4) . . ?
O4 B1 O3 110.9(4) . . ?
O4 B2 O5 110.2(4) . . ?
O4 B2 O6 111.6(4) . . ?
O4 B2 O7 110.0(4) . . ?
O5 B2 O6 110.5(4) . . ?
O5 B2 O7 105.9(4) . . ?
O6 B2 O7 108.5(4) . . ?
O1 P1 O3 103.09(18) . 3_655 ?
O1 P1 O6 109.49(18) . 3_655 ?
O6 P1 O3 106.97(19) 3_655 3_655 ?
O9 P1 O1 111.7(2) . . ?
O9 P1 O3 112.6(2) . 3_655 ?
O9 P1 O6 112.5(2) . 3_655 ?
O2 P2 Li1 73.4(2) 2_565 2_665 ?
O5 P2 Li1 111.9(2) 4_556 2_665 ?
O5 P2 O2 105.68(18) 4_556 2_565 ?
O7 P2 Li1 138.1(2) . 2_665 ?
O7 P2 O2 109.71(18) . 2_565 ?
O7 P2 O5 107.30(18) . 4_556 ?
O8 P2 Li1 38.5(2) . 2_665 ?
O8 P2 O2 109.02(18) . 2_565 ?
O8 P2 O5 114.50(19) . 4_556 ?
O8 P2 O7 110.48(19) . . ?
B1 O1 P1 130.4(3) . . ?
B1 O2 Li1 107.7(4) . 3_655 ?
B1 O2 P2 126.2(3) . 2_564 ?
P2 O2 Li1 124.4(3) 2_564 3_655 ?
B1 O3 P1 121.5(3) . 3_645 ?
B1 O4 Li1 108.7(4) . 1_455 ?
B1 O4 B2 118.9(4) . . ?
B2 O4 Li1 119.7(4) . 1_455 ?
B2 O5 P2 133.5(3) . 4_456 ?
B2 O6 P1 122.7(3) . 3_645 ?
B2 O7 P2 136.3(3) . . ?
P2 O8 Li1 113.5(3) . 2_665 ?
P1 O9 Li1 135.4(3) . . ?

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
Li1 B1 O1 P1 -128.0(4) 3_655 . . . ?
Li1 B1 O2 P2 -165.6(5) 3_655 . . 2_564 ?
Li1 B1 O3 P1 -173.1(5) 3_655 . . 3_645 ?
Li1 B1 O4 Li1 77.9(3) 3_655 . . 1_455 ?
Li1 B1 O4 B2 -140.5(4) 3_655 . . . ?
Li1 P2 O7 B2 -168.0(4) 2_665 . . . ?
O1 B1 O2 Li1 -37.8(4) . . . 3_655 ?
O1 B1 O2 P2 156.6(3) . . . 2_564 ?
O1 B1 O3 P1 102.5(4) . . . 3_645 ?
O1 B1 O4 Li1 150.4(4) . . . 1_455 ?
O1 B1 O4 B2 -68.0(5) . . . . ?
O1 P1 O9 Li1 118.2(5) . . . . ?
O2 B1 O1 P1 -102.2(4) . . . . ?
O2 B1 O3 P1 -144.4(3) . . . 3_645 ?
O2 B1 O4 Li1 35.6(4) . . . 1_455 ?
O2 B1 O4 B2 177.2(4) . . . . ?
O2 P2 O7 B2 -81.1(5) 2_565 . . . ?
O2 P2 O8 Li1 23.2(4) 2_565 . . 2_665 ?
O3 B1 O1 P1 14.5(6) . . . . ?
O3 B1 O2 Li1 -155.6(4) . . . 3_655 ?
O3 B1 O2 P2 38.8(5) . . . 2_564 ?
O3 B1 O4 Li1 -85.6(4) . . . 1_455 ?
O3 B1 O4 B2 56.0(5) . . . . ?
O3 P1 O1 B1 162.4(4) 3_655 . . . ?
O3 P1 O9 Li1 -126.4(5) 3_655 . . . ?
O4 B1 O1 P1 138.6(3) . . . . ?
O4 B1 O2 Li1 82.2(4) . . . 3_655 ?
O4 B1 O2 P2 -83.5(4) . . . 2_564 ?
O4 B1 O3 P1 -22.2(5) . . . 3_645 ?
O4 B2 O5 P2 70.9(5) . . . 4_456 ?
O4 B2 O6 P1 -9.2(5) . . . 3_645 ?
O4 B2 O7 P2 -169.5(3) . . . . ?
O5 B2 O4 Li1 -26.2(5) . . . 1_455 ?
O5 B2 O4 B1 -163.6(4) . . . . ?
O5 B2 O6 P1 113.7(4) . . . 3_645 ?
O5 B2 O7 P2 71.5(5) . . . . ?
O5 P2 O7 B2 33.2(5) 4_556 . . . ?
O5 P2 O8 Li1 -94.9(4) 4_556 . . 2_665 ?
O6 B2 O4 Li1 96.9(4) . . . 1_455 ?
O6 B2 O4 B1 -40.5(5) . . . . ?
O6 B2 O5 P2 -52.9(6) . . . 4_456 ?
O6 B2 O7 P2 -47.1(6) . . . . ?
O6 P1 O1 B1 48.8(4) 3_655 . . . ?
O6 P1 O9 Li1 -5.4(5) 3_655 . . . ?
O7 B2 O4 Li1 -142.6(4) . . . 1_455 ?
O7 B2 O4 B1 80.0(5) . . . . ?
O7 B2 O5 P2 -170.2(3) . . . 4_456 ?
O7 B2 O6 P1 -130.6(3) . . . 3_645 ?
O7 P2 O8 Li1 143.9(3) . . . 2_665 ?
O8 P2 O7 B2 158.6(4) . . . . ?
O9 P1 O1 B1 -76.5(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_collect_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2385824'
loop_
_audit_author_name
_audit_author_address
'Huanhuan Zhao'
;Xinjiang Institute of Physics and Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2024-09-23 deposited with the CCDC.	2024-12-22 downloaded from the CCDC.
;
_audit_creation_date             2024-09-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B2 H4 Li Na O11 P2'
_chemical_formula_sum            'B2 H4 Li Na O11 P2'
_chemical_formula_weight         293.52
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   12.5422(12)
_cell_length_b                   7.9359(8)
_cell_length_c                   4.2826(4)
_cell_angle_alpha                90
_cell_angle_beta                 107.839(4)
_cell_angle_gamma                90
_cell_volume                     405.77(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1724
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.151
_cell_measurement_theta_min      3.082
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.646
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6578
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0842 before and 0.0720 after correction.
The Ratio of minimum to maximum transmission is 0.8824.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.402
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             292
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.087
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0655
_diffrn_reflns_av_unetI/netI     0.0620
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            3000
_diffrn_reflns_point_group_measured_fraction_full 0.941
_diffrn_reflns_point_group_measured_fraction_max 0.925
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.464
_diffrn_reflns_theta_min         3.082
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.773
_reflns_Friedel_fraction_full    0.899
_reflns_Friedel_fraction_max     0.870
_reflns_number_gt                834
_reflns_number_total             874
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.301
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details 
;
 Flack x determined using 327 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.05(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     87
_refine_ls_number_reflns         874
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0339
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0228P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0670
_refine_ls_wR_factor_ref         0.0702
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O1-H1
 0.97 with sigma of 0.02
 O6-H6
 0.97 with sigma of 0.02
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.5000 0.7568(14) 0.5000 0.016(2) Uani 1 2 d S T P . .
Na1 Na 0.5000 0.3974(4) 1.0000 0.0389(9) Uani 1 2 d S T P . .
B1 B 0.2157(4) 0.4021(6) -0.1505(11) 0.0111(9) Uani 1 1 d . . . . .
P1 P 0.28168(8) 0.59374(13) 0.4112(2) 0.0090(2) Uani 1 1 d . . . . .
O1 O 0.1066(3) 0.3647(4) -0.1310(8) 0.0136(7) Uani 1 1 d D . . . .
O2 O 0.1965(2) 0.5271(4) -0.4229(7) 0.0119(6) Uani 1 1 d . . . . .
O3 O 0.2763(2) 0.2538(4) -0.2324(7) 0.0119(6) Uani 1 1 d . . . . .
O4 O 0.2950(2) 0.4658(4) 0.1543(6) 0.0120(6) Uani 1 1 d . . . . .
O5 O 0.3946(2) 0.6261(4) 0.6522(7) 0.0137(7) Uani 1 1 d . . . . .
O6 O 0.5000 0.2437(7) 0.5000 0.0311(12) Uani 1 2 d DS T P . .
H1 H 0.114(7) 0.297(10) 0.059(14) 0.08(3) Uiso 1 1 d D . . . .
H6 H 0.566(5) 0.174(11) 0.60(2) 0.12(4) Uiso 1 1 d 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
Li1 Na1 3.566(9) . ?
Li1 Na1 3.566(9) 1_554 ?
Li1 P1 2.946(5) 2_656 ?
Li1 P1 2.946(5) . ?
Li1 O1 1.930(6) 4 ?
Li1 O1 1.930(6) 3_556 ?
Li1 O5 1.943(7) 2_656 ?
Li1 O5 1.943(7) . ?
Na1 Li1 3.566(9) 1_556 ?
Na1 O3 2.907(3) 1_556 ?
Na1 O3 2.907(3) 2_656 ?
Na1 O4 2.895(3) 2_656 ?
Na1 O4 2.895(3) 1_556 ?
Na1 O5 2.461(4) . ?
Na1 O5 2.461(4) 2_657 ?
Na1 O6 2.464(3) . ?
Na1 O6 2.464(3) 1_556 ?
B1 O1 1.426(5) . ?
B1 O2 1.494(5) . ?
B1 O3 1.500(6) . ?
B1 O4 1.468(5) . ?
P1 O2 1.546(3) 1_556 ?
P1 O3 1.545(3) 4 ?
P1 O4 1.543(3) . ?
P1 O5 1.497(3) . ?
O1 Li1 1.930(6) 3_444 ?
O1 H1 0.96(3) . ?
O2 P1 1.546(3) 1_554 ?
O3 Na1 2.907(3) 1_554 ?
O3 P1 1.545(3) 4_545 ?
O4 Na1 2.895(3) 1_554 ?
O6 Na1 2.464(3) 1_554 ?
O6 H6 0.98(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Na1 Li1 Na1 73.8(2) . 1_554 ?
P1 Li1 Na1 63.60(17) 2_656 1_554 ?
P1 Li1 Na1 75.1(2) . 1_554 ?
P1 Li1 Na1 63.60(17) . . ?
P1 Li1 Na1 75.1(2) 2_656 . ?
P1 Li1 P1 127.9(4) . 2_656 ?
O1 Li1 Na1 136.0(3) 3_556 1_554 ?
O1 Li1 Na1 136.0(3) 4 . ?
O1 Li1 Na1 89.5(2) 4 1_554 ?
O1 Li1 Na1 89.5(2) 3_556 . ?
O1 Li1 P1 72.87(11) 4 . ?
O1 Li1 P1 133.18(9) 4 2_656 ?
O1 Li1 P1 72.87(11) 3_556 2_656 ?
O1 Li1 P1 133.18(9) 3_556 . ?
O1 Li1 O1 127.3(6) 3_556 4 ?
O1 Li1 O5 98.01(13) 4 . ?
O1 Li1 O5 109.53(13) 4 2_656 ?
O1 Li1 O5 109.53(13) 3_556 . ?
O1 Li1 O5 98.01(13) 3_556 2_656 ?
O5 Li1 Na1 84.2(3) 2_656 . ?
O5 Li1 Na1 41.1(2) 2_656 1_554 ?
O5 Li1 Na1 84.2(3) . 1_554 ?
O5 Li1 Na1 41.1(2) . . ?
O5 Li1 P1 115.0(4) . 2_656 ?
O5 Li1 P1 115.0(4) 2_656 . ?
O5 Li1 P1 26.86(9) . . ?
O5 Li1 P1 26.86(9) 2_656 2_656 ?
O5 Li1 O5 115.5(6) . 2_656 ?
Li1 Na1 Li1 73.8(2) 1_556 . ?
O3 Na1 Li1 109.97(8) 1_556 1_556 ?
O3 Na1 Li1 106.59(8) 2_656 1_556 ?
O3 Na1 Li1 109.97(8) 2_656 . ?
O3 Na1 Li1 106.59(8) 1_556 . ?
O3 Na1 O3 133.83(18) 1_556 2_656 ?
O4 Na1 Li1 63.23(8) 2_656 . ?
O4 Na1 Li1 98.65(11) 1_556 . ?
O4 Na1 Li1 98.65(11) 2_656 1_556 ?
O4 Na1 Li1 63.23(8) 1_556 1_556 ?
O4 Na1 O3 47.18(8) 1_556 1_556 ?
O4 Na1 O3 145.77(9) 2_656 1_556 ?
O4 Na1 O3 47.18(8) 2_656 2_656 ?
O4 Na1 O3 145.77(9) 1_556 2_656 ?
O4 Na1 O4 158.38(18) 2_656 1_556 ?
O5 Na1 Li1 71.02(13) . 1_556 ?
O5 Na1 Li1 71.02(13) 2_657 . ?
O5 Na1 Li1 31.30(8) 2_657 1_556 ?
O5 Na1 Li1 31.30(8) . . ?
O5 Na1 O3 78.38(9) . 1_556 ?
O5 Na1 O3 141.24(11) 2_657 1_556 ?
O5 Na1 O3 141.24(12) . 2_656 ?
O5 Na1 O3 78.38(9) 2_657 2_656 ?
O5 Na1 O4 94.22(11) . 2_656 ?
O5 Na1 O4 69.50(9) . 1_556 ?
O5 Na1 O4 94.22(11) 2_657 1_556 ?
O5 Na1 O4 69.50(9) 2_657 2_656 ?
O5 Na1 O5 84.94(18) 2_657 . ?
O5 Na1 O6 88.98(12) 2_657 1_556 ?
O5 Na1 O6 138.42(11) 2_657 . ?
O5 Na1 O6 88.98(12) . . ?
O5 Na1 O6 138.42(11) . 1_556 ?
O6 Na1 Li1 82.77(17) 1_556 1_556 ?
O6 Na1 Li1 82.77(17) . . ?
O6 Na1 Li1 156.57(19) . 1_556 ?
O6 Na1 Li1 156.57(19) 1_556 . ?
O6 Na1 O3 76.43(9) . 1_556 ?
O6 Na1 O3 81.17(9) 1_556 1_556 ?
O6 Na1 O3 76.43(9) 1_556 2_656 ?
O6 Na1 O3 81.17(9) . 2_656 ?
O6 Na1 O4 70.01(8) 1_556 1_556 ?
O6 Na1 O4 70.01(8) . 2_656 ?
O6 Na1 O4 121.84(7) 1_556 2_656 ?
O6 Na1 O4 121.84(7) . 1_556 ?
O6 Na1 O6 120.7(3) 1_556 . ?
O1 B1 O2 104.8(3) . . ?
O1 B1 O3 114.4(4) . . ?
O1 B1 O4 114.9(4) . . ?
O2 B1 O3 108.1(3) . . ?
O4 B1 O2 111.7(4) . . ?
O4 B1 O3 102.9(3) . . ?
O2 P1 Li1 146.78(11) 1_556 . ?
O3 P1 Li1 88.9(2) 4 . ?
O3 P1 O2 102.83(17) 4 1_556 ?
O4 P1 Li1 94.67(18) . . ?
O4 P1 O2 110.11(17) . 1_556 ?
O4 P1 O3 108.96(15) . 4 ?
O5 P1 Li1 35.92(13) . . ?
O5 P1 O2 112.50(15) . 1_556 ?
O5 P1 O3 113.76(19) . 4 ?
O5 P1 O4 108.54(16) . . ?
Li1 O1 H1 108(5) 3_444 . ?
B1 O1 Li1 118.7(3) . 3_444 ?
B1 O1 H1 109(5) . . ?
B1 O2 P1 128.1(3) . 1_554 ?
B1 O3 Na1 96.7(2) . 1_554 ?
B1 O3 P1 124.5(3) . 4_545 ?
P1 O3 Na1 138.62(17) 4_545 1_554 ?
B1 O4 Na1 98.1(2) . 1_554 ?
B1 O4 P1 131.9(3) . . ?
P1 O4 Na1 125.73(16) . 1_554 ?
Li1 O5 Na1 107.6(2) . . ?
P1 O5 Li1 117.22(17) . . ?
P1 O5 Na1 120.69(19) . . ?
Na1 O6 Na1 120.7(3) 1_554 . ?
Na1 O6 H6 116(5) 1_554 . ?
Na1 O6 H6 97(6) . . ?

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
Li1 P1 O4 Na1 12.2(2) . . . 1_554 ?
Li1 P1 O4 B1 -139.3(4) . . . . ?
Li1 P1 O5 Na1 -134.4(4) . . . . ?
O1 B1 O2 P1 -170.3(3) . . . 1_554 ?
O1 B1 O3 Na1 -161.0(3) . . . 1_554 ?
O1 B1 O3 P1 23.1(5) . . . 4_545 ?
O1 B1 O4 Na1 161.0(3) . . . 1_554 ?
O1 B1 O4 P1 -42.0(6) . . . . ?
O2 B1 O1 Li1 63.9(5) . . . 3_444 ?
O2 B1 O3 Na1 82.6(3) . . . 1_554 ?
O2 B1 O3 P1 -93.3(4) . . . 4_545 ?
O2 B1 O4 Na1 -79.8(3) . . . 1_554 ?
O2 B1 O4 P1 77.2(4) . . . . ?
O2 P1 O4 Na1 -145.33(18) 1_556 . . 1_554 ?
O2 P1 O4 B1 63.2(4) 1_556 . . . ?
O2 P1 O5 Li1 -166.4(4) 1_556 . . . ?
O2 P1 O5 Na1 59.2(2) 1_556 . . . ?
O3 B1 O1 Li1 -54.4(6) . . . 3_444 ?
O3 B1 O2 P1 -47.9(5) . . . 1_554 ?
O3 B1 O4 Na1 36.0(3) . . . 1_554 ?
O3 B1 O4 P1 -167.1(3) . . . . ?
O3 P1 O4 Na1 102.6(2) 4 . . 1_554 ?
O3 P1 O4 B1 -48.9(4) 4 . . . ?
O3 P1 O5 Li1 -49.9(4) 4 . . . ?
O3 P1 O5 Na1 175.63(15) 4 . . . ?
O4 B1 O1 Li1 -173.2(4) . . . 3_444 ?
O4 B1 O2 P1 64.7(4) . . . 1_554 ?
O4 B1 O3 Na1 -35.7(3) . . . 1_554 ?
O4 B1 O3 P1 148.5(3) . . . 4_545 ?
O4 P1 O5 Li1 71.5(4) . . . . ?
O4 P1 O5 Na1 -62.89(19) . . . . ?
O5 P1 O4 Na1 -21.8(2) . . . 1_554 ?
O5 P1 O4 B1 -173.2(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_11111111111
_database_code_depnum_ccdc_archive 'CCDC 2385823'
loop_
_audit_author_name
_audit_author_address
'Huanhuan Zhao'
;Xinjiang Institute of Physics and Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2024-09-23 deposited with the CCDC.	2024-12-22 downloaded from the CCDC.
;
_audit_creation_date             2024-07-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        LiKB2P2O9
_chemical_formula_moiety         'B2 K Li O9 P2'
_chemical_formula_sum            'B2 K Li O9 P2'
_chemical_formula_weight         273.60
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   7.1528(5)
_cell_length_b                   7.3764(7)
_cell_length_c                   12.6353(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     666.66(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2535
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.35
_cell_measurement_theta_min      3.20
_shelx_estimated_absorpt_T_max   0.895
_shelx_estimated_absorpt_T_min   0.880
_exptl_absorpt_coefficient_mu    1.307
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6495
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1079 before and 0.0861 after correction.
The Ratio of minimum to maximum transmission is 0.8711.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.726
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.087
_exptl_crystal_size_min          0.087
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0747
_diffrn_reflns_av_unetI/netI     0.0705
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5434
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.511
_diffrn_reflns_theta_min         3.198
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.675
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                1420
_reflns_number_total             1531
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.493
_refine_diff_density_min         -0.645
_refine_diff_density_rms         0.149
_refine_ls_abs_structure_details 
;
 Flack x determined using 529 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.01(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1531
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0414
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0502P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.0993
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.8862(13) 0.3933(14) 0.2581(8) 0.019(2) Uani 1 1 d . . . . .
K1 K 0.91713(16) 0.60733(18) 0.50303(11) 0.0214(3) Uani 1 1 d . . . . .
B1 B 0.2612(7) 0.5417(7) 0.2462(5) 0.0087(12) Uani 1 1 d . . . . .
B2 B 0.2340(7) 0.3447(7) 0.4027(5) 0.0081(11) Uani 1 1 d . . . . .
P1 P 0.60185(18) 0.70693(19) 0.26820(12) 0.0110(3) Uani 1 1 d . . . . .
P2 P -0.03391(16) 0.07924(18) 0.42548(11) 0.0086(3) Uani 1 1 d . . . . .
O1 O 0.7242(5) 0.5693(6) 0.3185(3) 0.0187(9) Uani 1 1 d . . . . .
O2 O 0.3948(5) 0.6748(5) 0.2919(3) 0.0106(8) Uani 1 1 d . . . . .
O3 O 0.3650(5) 0.4008(5) 0.1853(3) 0.0132(8) Uani 1 1 d . . . . .
O4 O 0.1454(5) 0.6515(5) 0.1722(3) 0.0105(8) Uani 1 1 d . . . . .
O5 O 0.1462(4) 0.4604(5) 0.3260(3) 0.0089(7) Uani 1 1 d . . . . .
O6 O 0.3293(4) 0.4589(4) 0.4833(3) 0.0095(7) Uani 1 1 d . . . . .
O7 O 0.3714(5) 0.2209(5) 0.3532(3) 0.0115(8) Uani 1 1 d . . . . .
O8 O 0.0897(5) 0.2393(5) 0.4601(3) 0.0105(8) Uani 1 1 d . . . . .
O9 O 0.0704(5) -0.0892(5) 0.3968(3) 0.0132(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
Li1 O1 1.900(11) . ?
Li1 O4 2.002(11) 3_645 ?
Li1 O5 2.107(11) 1_655 ?
Li1 O9 1.986(11) 3_655 ?
K1 B2 3.240(6) 1_655 ?
K1 P1 3.461(2) 4_566 ?
K1 O1 2.724(4) . ?
K1 O2 3.053(4) 4_566 ?
K1 O3 2.781(4) 2_665 ?
K1 O5 2.977(4) 1_655 ?
K1 O6 3.266(4) 4_566 ?
K1 O6 3.155(3) 1_655 ?
K1 O7 3.044(4) 4_556 ?
K1 O8 3.031(4) 1_655 ?
K1 O9 2.787(4) 4_556 ?
K1 O9 2.831(4) 1_665 ?
B1 Li1 2.800(12) 3_655 ?
B1 O2 1.487(6) . ?
B1 O3 1.491(7) . ?
B1 O4 1.489(6) . ?
B1 O5 1.433(6) . ?
B2 K1 3.240(6) 1_455 ?
B2 O5 1.436(7) . ?
B2 O6 1.487(6) . ?
B2 O7 1.480(6) . ?
B2 O8 1.483(6) . ?
P1 K1 3.461(2) 4_466 ?
P1 O1 1.483(4) . ?
P1 O2 1.530(4) . ?
P1 O3 1.564(4) 3_655 ?
P1 O7 1.549(4) 3_655 ?
P2 Li1 2.894(10) 3_645 ?
P2 K1 3.6332(18) 1_445 ?
P2 K1 3.6219(17) 4_456 ?
P2 O4 1.563(4) 3_545 ?
P2 O6 1.538(4) 4_456 ?
P2 O8 1.538(4) . ?
P2 O9 1.494(4) . ?
O2 Li1 2.653(11) 3_655 ?
O2 K1 3.053(4) 4_466 ?
O3 K1 2.781(4) 2_664 ?
O3 P1 1.564(4) 3_645 ?
O4 Li1 2.002(11) 3_655 ?
O4 P2 1.563(4) 3 ?
O5 Li1 2.107(11) 1_455 ?
O5 K1 2.977(4) 1_455 ?
O6 K1 3.266(4) 4_466 ?
O6 K1 3.155(3) 1_455 ?
O6 P2 1.538(4) 4_556 ?
O7 K1 3.044(4) 4_456 ?
O7 P1 1.549(4) 3_645 ?
O8 K1 3.031(4) 1_455 ?
O9 Li1 1.986(11) 3_645 ?
O9 K1 2.831(4) 1_445 ?
O9 K1 2.788(4) 4_456 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Li1 O4 111.3(5) . 3_645 ?
O1 Li1 O5 102.4(5) . 1_655 ?
O1 Li1 O9 116.6(5) . 3_655 ?
O4 Li1 O5 97.4(4) 3_645 1_655 ?
O9 Li1 O4 120.6(6) 3_655 3_645 ?
O9 Li1 O5 104.4(5) 3_655 1_655 ?
B2 K1 P1 107.24(11) 1_655 4_566 ?
B2 K1 O6 137.82(12) 1_655 4_566 ?
O1 K1 B2 87.59(14) . 1_655 ?
O1 K1 P1 161.64(10) . 4_566 ?
O1 K1 O2 138.95(12) . 4_566 ?
O1 K1 O3 172.07(13) . 2_665 ?
O1 K1 O5 66.30(10) . 1_655 ?
O1 K1 O6 111.72(12) . 1_655 ?
O1 K1 O6 92.78(11) . 4_566 ?
O1 K1 O7 111.99(12) . 4_556 ?
O1 K1 O8 87.77(12) . 1_655 ?
O1 K1 O9 86.15(12) . 4_556 ?
O1 K1 O9 82.63(12) . 1_665 ?
O2 K1 B2 133.11(13) 4_566 1_655 ?
O2 K1 P1 26.21(7) 4_566 4_566 ?
O2 K1 O6 107.37(10) 4_566 1_655 ?
O2 K1 O6 55.20(10) 4_566 4_566 ?
O3 K1 B2 85.37(13) 2_665 1_655 ?
O3 K1 P1 26.24(8) 2_665 4_566 ?
O3 K1 O2 48.54(10) 2_665 4_566 ?
O3 K1 O5 107.82(11) 2_665 1_655 ?
O3 K1 O6 94.88(11) 2_665 4_566 ?
O3 K1 O6 62.25(11) 2_665 1_655 ?
O3 K1 O7 63.20(11) 2_665 4_556 ?
O3 K1 O8 84.30(11) 2_665 1_655 ?
O3 K1 O9 101.10(11) 2_665 1_665 ?
O3 K1 O9 96.99(11) 2_665 4_556 ?
O5 K1 B2 26.27(12) 1_655 1_655 ?
O5 K1 P1 124.17(7) 1_655 4_566 ?
O5 K1 O2 149.10(10) 1_655 4_566 ?
O5 K1 O6 45.58(10) 1_655 1_655 ?
O5 K1 O6 120.15(10) 1_655 4_566 ?
O5 K1 O7 102.59(11) 1_655 4_556 ?
O5 K1 O8 46.80(10) 1_655 1_655 ?
O6 K1 B2 26.85(11) 1_655 1_655 ?
O6 K1 P1 68.99(8) 4_566 4_566 ?
O6 K1 P1 81.17(8) 1_655 4_566 ?
O6 K1 O6 121.61(10) 1_655 4_566 ?
O7 K1 B2 80.40(13) 4_556 1_655 ?
O7 K1 P1 81.81(8) 4_556 4_566 ?
O7 K1 O2 84.64(11) 4_556 4_566 ?
O7 K1 O6 82.62(10) 4_556 1_655 ?
O7 K1 O6 136.64(11) 4_556 4_566 ?
O8 K1 B2 27.09(11) 1_655 1_655 ?
O8 K1 P1 110.39(8) 1_655 4_566 ?
O8 K1 O2 130.13(11) 1_655 4_566 ?
O8 K1 O6 164.89(10) 1_655 4_566 ?
O8 K1 O6 45.12(9) 1_655 1_655 ?
O8 K1 O7 55.82(10) 1_655 4_556 ?
O9 K1 B2 140.49(13) 4_556 1_655 ?
O9 K1 B2 90.93(13) 1_665 1_655 ?
O9 K1 P1 88.83(9) 4_556 4_566 ?
O9 K1 P1 86.27(9) 1_665 4_566 ?
O9 K1 O2 66.01(10) 4_556 4_566 ?
O9 K1 O2 90.36(11) 1_665 4_566 ?
O9 K1 O5 73.66(11) 1_665 1_655 ?
O9 K1 O5 144.42(11) 4_556 1_655 ?
O9 K1 O6 47.52(10) 1_665 4_566 ?
O9 K1 O6 148.28(11) 4_556 1_655 ?
O9 K1 O6 82.83(10) 1_665 1_655 ?
O9 K1 O6 81.48(10) 4_556 4_566 ?
O9 K1 O7 66.13(10) 4_556 4_556 ?
O9 K1 O7 162.43(11) 1_665 4_556 ?
O9 K1 O8 117.76(11) 1_665 1_655 ?
O9 K1 O8 113.61(11) 4_556 1_655 ?
O9 K1 O9 126.70(9) 4_556 1_665 ?
O2 B1 Li1 68.8(3) . 3_655 ?
O2 B1 O3 109.9(4) . . ?
O2 B1 O4 104.0(4) . . ?
O3 B1 Li1 145.4(4) . 3_655 ?
O4 B1 Li1 43.5(3) . 3_655 ?
O4 B1 O3 109.4(4) . . ?
O5 B1 Li1 100.7(4) . 3_655 ?
O5 B1 O2 111.8(4) . . ?
O5 B1 O3 110.9(4) . . ?
O5 B1 O4 110.5(4) . . ?
O5 B2 K1 66.6(2) . 1_455 ?
O5 B2 O6 109.1(4) . . ?
O5 B2 O7 111.8(5) . . ?
O5 B2 O8 109.7(4) . . ?
O6 B2 K1 73.4(2) . 1_455 ?
O7 B2 K1 177.1(4) . 1_455 ?
O7 B2 O6 109.6(4) . . ?
O7 B2 O8 110.2(4) . . ?
O8 B2 K1 68.6(3) . 1_455 ?
O8 B2 O6 106.3(4) . . ?
Li1 P1 K1 125.7(2) . 4_466 ?
Li1 P1 K1 59.7(2) . . ?
K1 P1 K1 69.56(3) 4_466 . ?
O1 P1 Li1 27.7(3) . . ?
O1 P1 K1 97.96(18) . 4_466 ?
O1 P1 K1 35.18(17) . . ?
O1 P1 O2 112.4(2) . . ?
O1 P1 O3 112.0(2) . 3_655 ?
O1 P1 O7 113.4(2) . 3_655 ?
O2 P1 Li1 122.0(2) . . ?
O2 P1 K1 61.85(15) . 4_466 ?
O2 P1 K1 113.07(17) . . ?
O2 P1 O3 102.4(2) . 3_655 ?
O2 P1 O7 108.9(2) . 3_655 ?
O3 P1 Li1 127.0(2) 3_655 . ?
O3 P1 K1 51.84(15) 3_655 4_466 ?
O3 P1 K1 78.08(15) 3_655 . ?
O7 P1 Li1 85.8(2) 3_655 . ?
O7 P1 K1 147.98(16) 3_655 4_466 ?
O7 P1 K1 135.46(15) 3_655 . ?
O7 P1 O3 107.0(2) 3_655 3_655 ?
Li1 P2 K1 78.3(2) 3_645 1_445 ?
Li1 P2 K1 72.2(2) 3_645 4_456 ?
K1 P2 K1 69.79(3) 4_456 1_445 ?
O4 P2 Li1 73.4(2) 3_545 3_645 ?
O4 P2 K1 119.38(14) 3_545 1_445 ?
O4 P2 K1 141.35(15) 3_545 4_456 ?
O6 P2 Li1 138.3(2) 4_456 3_645 ?
O6 P2 K1 63.99(13) 4_456 1_445 ?
O6 P2 K1 108.10(15) 4_456 4_456 ?
O6 P2 O4 109.22(19) 4_456 3_545 ?
O6 P2 O8 107.0(2) 4_456 . ?
O8 P2 Li1 112.4(2) . 3_645 ?
O8 P2 K1 73.05(14) . 4_456 ?
O8 P2 K1 135.54(15) . 1_445 ?
O8 P2 O4 104.8(2) . 3_545 ?
O9 P2 Li1 39.6(3) . 3_645 ?
O9 P2 K1 45.54(14) . 4_456 ?
O9 P2 K1 46.88(15) . 1_445 ?
O9 P2 O4 110.3(2) . 3_545 ?
O9 P2 O6 110.3(2) . 4_456 ?
O9 P2 O8 114.8(2) . . ?
Li1 O1 K1 96.0(3) . . ?
P1 O1 Li1 130.9(4) . . ?
P1 O1 K1 126.5(2) . . ?
Li1 O2 K1 85.5(2) 3_655 4_466 ?
B1 O2 Li1 79.7(3) . 3_655 ?
B1 O2 K1 135.3(3) . 4_466 ?
B1 O2 P1 130.4(3) . . ?
P1 O2 Li1 126.3(3) . 3_655 ?
P1 O2 K1 91.94(17) . 4_466 ?
B1 O3 K1 136.1(3) . 2_664 ?
B1 O3 P1 121.3(4) . 3_645 ?
P1 O3 K1 101.93(17) 3_645 2_664 ?
B1 O4 Li1 105.7(4) . 3_655 ?
B1 O4 P2 126.4(3) . 3 ?
P2 O4 Li1 126.4(4) 3 3_655 ?
Li1 O5 K1 84.6(3) 1_455 1_455 ?
B1 O5 Li1 108.6(4) . 1_455 ?
B1 O5 K1 133.8(3) . 1_455 ?
B1 O5 B2 118.2(4) . . ?
B2 O5 Li1 121.4(4) . 1_455 ?
B2 O5 K1 87.1(3) . 1_455 ?
K1 O6 K1 80.53(8) 1_455 4_466 ?
B2 O6 K1 132.8(3) . 4_466 ?
B2 O6 K1 79.8(2) . 1_455 ?
B2 O6 P2 134.6(3) . 4_556 ?
P2 O6 K1 126.8(2) 4_556 1_455 ?
P2 O6 K1 90.97(15) 4_556 4_466 ?
B2 O7 K1 108.1(3) . 4_456 ?
B2 O7 P1 122.8(4) . 3_645 ?
P1 O7 K1 121.6(2) 3_645 4_456 ?
B2 O8 K1 84.3(3) . 1_455 ?
B2 O8 P2 131.6(4) . . ?
P2 O8 K1 120.26(18) . 1_455 ?
Li1 O9 K1 118.5(3) 3_645 1_445 ?
Li1 O9 K1 107.8(3) 3_645 4_456 ?
K1 O9 K1 95.25(12) 4_456 1_445 ?
P2 O9 Li1 111.8(4) . 3_645 ?
P2 O9 K1 111.97(19) . 4_456 ?
P2 O9 K1 110.46(18) . 1_445 ?

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
Li1 B1 O2 K1 72.8(4) 3_655 . . 4_466 ?
Li1 B1 O2 P1 -129.6(5) 3_655 . . . ?
Li1 B1 O3 K1 15.7(9) 3_655 . . 2_664 ?
Li1 B1 O3 P1 -175.6(5) 3_655 . . 3_645 ?
Li1 B1 O4 P2 -167.2(5) 3_655 . . 3 ?
Li1 B1 O5 Li1 78.8(4) 3_655 . . 1_455 ?
Li1 B1 O5 K1 -21.9(5) 3_655 . . 1_455 ?
Li1 B1 O5 B2 -137.7(4) 3_655 . . . ?
Li1 P1 O1 K1 144.7(6) . . . . ?
Li1 P1 O2 Li1 -157.7(2) . . . 3_655 ?
Li1 P1 O2 K1 116.5(3) . . . 4_466 ?
Li1 P1 O2 B1 -48.0(6) . . . . ?
Li1 P2 O8 K1 131.0(3) 3_645 . . 1_455 ?
Li1 P2 O8 B2 19.7(5) 3_645 . . . ?
Li1 P2 O9 K1 121.0(4) 3_645 . . 4_456 ?
Li1 P2 O9 K1 -134.2(4) 3_645 . . 1_445 ?
K1 B2 O5 Li1 -81.9(4) 1_455 . . 1_455 ?
K1 B2 O5 B1 139.4(4) 1_455 . . . ?
K1 B2 O6 K1 -66.8(3) 1_455 . . 4_466 ?
K1 B2 O6 P2 132.6(4) 1_455 . . 4_556 ?
K1 B2 O8 P2 126.1(4) 1_455 . . . ?
K1 P1 O1 Li1 179.4(5) 4_466 . . . ?
K1 P1 O1 Li1 -144.7(6) . . . . ?
K1 P1 O1 K1 -35.9(2) 4_466 . . . ?
K1 P1 O2 Li1 134.7(3) . . . 3_655 ?
K1 P1 O2 Li1 85.9(3) 4_466 . . 3_655 ?
K1 P1 O2 K1 48.82(14) . . . 4_466 ?
K1 P1 O2 B1 -115.7(4) . . . . ?
K1 P1 O2 B1 -164.5(5) 4_466 . . . ?
K1 P2 O8 K1 -132.79(14) 1_445 . . 1_455 ?
K1 P2 O8 K1 -167.1(2) 4_456 . . 1_455 ?
K1 P2 O8 B2 81.5(4) 4_456 . . . ?
K1 P2 O8 B2 115.8(4) 1_445 . . . ?
K1 P2 O9 Li1 134.2(4) 1_445 . . 3_645 ?
K1 P2 O9 Li1 -121.0(4) 4_456 . . 3_645 ?
K1 P2 O9 K1 104.8(2) 4_456 . . 1_445 ?
K1 P2 O9 K1 -104.8(2) 1_445 . . 4_456 ?
O1 P1 O2 Li1 172.9(4) . . . 3_655 ?
O1 P1 O2 K1 87.1(2) . . . 4_466 ?
O1 P1 O2 B1 -77.4(5) . . . . ?
O2 B1 O3 K1 -65.5(6) . . . 2_664 ?
O2 B1 O3 P1 103.2(4) . . . 3_645 ?
O2 B1 O4 Li1 -36.3(5) . . . 3_655 ?
O2 B1 O4 P2 156.5(3) . . . 3 ?
O2 B1 O5 Li1 150.0(4) . . . 1_455 ?
O2 B1 O5 K1 49.4(6) . . . 1_455 ?
O2 B1 O5 B2 -66.5(5) . . . . ?
O2 P1 O1 Li1 116.6(5) . . . . ?
O2 P1 O1 K1 -98.6(3) . . . . ?
O3 B1 O2 Li1 143.0(4) . . . 3_655 ?
O3 B1 O2 K1 -144.2(3) . . . 4_466 ?
O3 B1 O2 P1 13.4(7) . . . . ?
O3 B1 O4 Li1 -153.7(4) . . . 3_655 ?
O3 B1 O4 P2 39.1(5) . . . 3 ?
O3 B1 O5 Li1 -86.9(5) . . . 1_455 ?
O3 B1 O5 K1 172.5(3) . . . 1_455 ?
O3 B1 O5 B2 56.6(5) . . . . ?
O3 P1 O1 Li1 -128.7(5) 3_655 . . . ?
O3 P1 O1 K1 16.0(3) 3_655 . . . ?
O3 P1 O2 Li1 52.5(4) 3_655 . . 3_655 ?
O3 P1 O2 K1 -33.35(19) 3_655 . . 4_466 ?
O3 P1 O2 B1 162.2(5) 3_655 . . . ?
O4 Li1 O1 K1 73.3(5) 3_645 . . . ?
O4 Li1 O1 P1 -134.5(4) 3_645 . . . ?
O4 B1 O2 Li1 25.9(4) . . . 3_655 ?
O4 B1 O2 K1 98.7(4) . . . 4_466 ?
O4 B1 O2 P1 -103.7(5) . . . . ?
O4 B1 O3 K1 48.1(6) . . . 2_664 ?
O4 B1 O3 P1 -143.2(3) . . . 3_645 ?
O4 B1 O5 Li1 34.6(5) . . . 1_455 ?
O4 B1 O5 K1 -66.0(5) . . . 1_455 ?
O4 B1 O5 B2 178.2(4) . . . . ?
O4 P2 O8 K1 53.1(2) 3_545 . . 1_455 ?
O4 P2 O8 B2 -58.3(5) 3_545 . . . ?
O4 P2 O9 Li1 22.4(4) 3_545 . . 3_645 ?
O4 P2 O9 K1 -111.7(2) 3_545 . . 1_445 ?
O4 P2 O9 K1 143.46(18) 3_545 . . 4_456 ?
O5 Li1 O1 K1 -29.9(4) 1_655 . . . ?
O5 Li1 O1 P1 122.3(4) 1_655 . . . ?
O5 B1 O2 Li1 -93.3(4) . . . 3_655 ?
O5 B1 O2 K1 -20.6(6) . . . 4_466 ?
O5 B1 O2 P1 137.1(4) . . . . ?
O5 B1 O3 K1 170.3(3) . . . 2_664 ?
O5 B1 O3 P1 -21.0(6) . . . 3_645 ?
O5 B1 O4 Li1 83.9(5) . . . 3_655 ?
O5 B1 O4 P2 -83.3(5) . . . 3 ?
O5 B2 O6 K1 -9.6(6) . . . 4_466 ?
O5 B2 O6 K1 57.2(3) . . . 1_455 ?
O5 B2 O6 P2 -170.2(3) . . . 4_556 ?
O5 B2 O7 K1 -156.1(3) . . . 4_456 ?
O5 B2 O7 P1 -6.1(5) . . . 3_645 ?
O5 B2 O8 K1 -53.6(4) . . . 1_455 ?
O5 B2 O8 P2 72.5(6) . . . . ?
O6 B2 O5 Li1 -143.2(4) . . . 1_455 ?
O6 B2 O5 K1 -61.4(3) . . . 1_455 ?
O6 B2 O5 B1 78.1(5) . . . . ?
O6 B2 O7 K1 82.8(4) . . . 4_456 ?
O6 B2 O7 P1 -127.1(4) . . . 3_645 ?
O6 B2 O8 K1 64.2(3) . . . 1_455 ?
O6 B2 O8 P2 -169.7(3) . . . . ?
O6 P2 O8 K1 -62.8(2) 4_456 . . 1_455 ?
O6 P2 O8 B2 -174.2(4) 4_456 . . . ?
O6 P2 O9 Li1 143.2(4) 4_456 . . 3_645 ?
O6 P2 O9 K1 -95.8(2) 4_456 . . 4_456 ?
O6 P2 O9 K1 9.1(2) 4_456 . . 1_445 ?
O7 B2 O5 Li1 95.4(5) . . . 1_455 ?
O7 B2 O5 K1 177.3(3) . . . 1_455 ?
O7 B2 O5 B1 -43.3(5) . . . . ?
O7 B2 O6 K1 113.2(4) . . . 4_466 ?
O7 B2 O6 K1 179.9(4) . . . 1_455 ?
O7 B2 O6 P2 -47.5(6) . . . 4_556 ?
O7 B2 O8 K1 -177.1(4) . . . 1_455 ?
O7 B2 O8 P2 -51.1(6) . . . . ?
O7 P1 O1 Li1 -7.4(6) 3_655 . . . ?
O7 P1 O1 K1 137.3(2) 3_655 . . . ?
O7 P1 O2 Li1 -60.6(4) 3_655 . . 3_655 ?
O7 P1 O2 K1 -146.43(18) 3_655 . . 4_466 ?
O7 P1 O2 B1 49.1(5) 3_655 . . . ?
O8 B2 O5 Li1 -27.2(6) . . . 1_455 ?
O8 B2 O5 K1 54.7(4) . . . 1_455 ?
O8 B2 O5 B1 -165.8(4) . . . . ?
O8 B2 O6 K1 -127.8(3) . . . 4_466 ?
O8 B2 O6 K1 -61.1(3) . . . 1_455 ?
O8 B2 O6 P2 71.5(6) . . . 4_556 ?
O8 B2 O7 K1 -33.8(5) . . . 4_456 ?
O8 B2 O7 P1 116.3(4) . . . 3_645 ?
O8 P2 O9 Li1 -95.8(4) . . . 3_645 ?
O8 P2 O9 K1 130.09(19) . . . 1_445 ?
O8 P2 O9 K1 25.3(3) . . . 4_456 ?
O9 Li1 O1 K1 -143.0(5) 3_655 . . . ?
O9 Li1 O1 P1 9.1(8) 3_655 . . . ?
O9 P2 O8 K1 174.3(2) . . . 1_455 ?
O9 P2 O8 B2 63.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
