# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

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

data_Na4Be2F5PO4
_database_code_depnum_ccdc_archive 'CCDC 2171297'
loop_
_audit_author_name
_audit_author_address
'Yuanyu Yang'
;Shanxi Normal University
China
;
_audit_update_record             
;
2022-05-07 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;
_audit_creation_date             2022-01-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'Be2 F5 Na4 O4 P'
_chemical_formula_sum            'Be2 F5 Na4 O4 P'
_chemical_formula_weight         299.95
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Be Be 0.0005 0.0002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.9939(19)
_cell_length_b                   7.4433(2)
_cell_length_c                   13.985(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 133.305(17)
_cell_angle_gamma                90.00
_cell_volume                     1514.6(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6493
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.6570
_cell_measurement_theta_min      3.9370
_exptl_absorpt_coefficient_mu    0.670
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.631
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_unetI/netI     0.0122
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12649
_diffrn_reflns_theta_full        28.24
_diffrn_reflns_theta_max         28.24
_diffrn_reflns_theta_min         4.00
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71000
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                1744
_reflns_number_total             1850
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.325
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       0.0070(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     148
_refine_ls_number_reflns         1850
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0182
_refine_ls_R_factor_gt           0.0167
_refine_ls_restrained_S_all      1.201
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0259P)²+0.3066P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0429
_refine_ls_wR_factor_ref         0.0437
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Restrained distances
 F4-O2
 2.7 with sigma of 0.01
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
P1 P 0.409234(16) 0.82091(3) 0.27680(2) 0.00823(8) Uani 1 d . . 1 . . .
Na1 Na 0.5000 1.5000 0.5000 0.01454(13) Uani 1 d . . 2 S T P
Na2 Na 0.59347(3) 1.14243(6) 0.49146(4) 0.01829(11) Uani 1 d . . 1 . . .
Na3 Na 0.77023(3) 0.96832(6) 0.77727(4) 0.01741(11) Uani 1 d . . 1 . . .
Na4 Na 0.23233(3) 1.00435(6) -0.02314(4) 0.01972(12) Uani 1 d . . 1 . . .
Na5 Na 0.5000 1.44808(9) 0.2500 0.02029(15) Uani 1 d . . 2 S T P
F1 F 0.78190(4) 1.20409(9) 0.68668(7) 0.01801(15) Uani 1 d . . 1 . . .
F2 F 0.45753(4) 1.28672(9) 0.34678(6) 0.01827(15) Uani 1 d . . 1 . . .
F3 F 0.68233(4) 0.88235(9) 0.55471(6) 0.01699(15) Uani 1 d . . 1 . . .
F4 F 0.39072(4) 0.57208(9) 0.00581(6) 0.01765(15) Uani 1 d . . 1 D . .
F5 F 0.63796(5) 1.25309(9) 0.39172(6) 0.01873(15) Uani 1 d . . 1 . . .
O1 O 0.48885(5) 0.87466(10) 0.12516(7) 0.01363(16) Uani 1 d . . 1 . . .
O2 O 0.38671(5) 0.71226(11) 0.16311(7) 0.01438(16) Uani 1 d . . 1 D . .
O3 O 0.35017(5) 0.99343(10) 0.21939(8) 0.01546(17) Uani 1 d . . 1 . . .
O4 O 0.38760(5) 0.71072(11) 0.34321(7) 0.01423(16) Uani 1 d . . 1 . . .
Be1 Be 0.36665(9) 1.20614(18) 0.22229(13) 0.0121(2) Uani 1 d . . 1 . . .
Be2 Be 0.39721(9) 0.76191(18) 0.05890(13) 0.0112(2) Uani 1 d . . 1 . . .


_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
P1 Na1 3.3124(5) 1_545 ?
P1 Na2 3.2898(7) 5_676 ?
P1 Na4 3.4085(11) . ?
P1 O1 1.5361(9) 2_655 ?
P1 O2 1.5500(8) . ?
P1 O3 1.5452(8) . ?
P1 O4 1.5079(8) . ?
Na1 P1 3.3124(5) 1_565 ?
Na1 P1 3.3124(5) 5_676 ?
Na1 Na2 3.3010(5) 5_686 ?
Na1 Na2 3.3010(5) . ?
Na1 F2 2.3101(7) 5_686 ?
Na1 F2 2.3101(7) . ?
Na1 F4 2.3048(7) 2_665 ?
Na1 F4 2.3048(7) 6_576 ?
Na1 O4 2.3578(9) 5_676 ?
Na1 O4 2.3578(9) 1_565 ?
Na1 Be2 3.3204(13) 6_576 ?
Na1 Be2 3.3204(13) 2_665 ?
Na2 P1 3.2898(7) 5_676 ?
Na2 Na3 3.2816(12) . ?
Na2 Na4 3.3564(7) 2_655 ?
Na2 Na5 3.3785(8) . ?
Na2 F1 2.7835(11) . ?
Na2 F2 2.2564(10) . ?
Na2 F3 2.3517(8) . ?
Na2 F5 2.2622(8) . ?
Na2 O1 2.3789(9) 2_655 ?
Na2 O4 2.3418(10) 5_676 ?
Na2 Be2 2.9551(14) 2_655 ?
Na3 Na1 3.3516(11) 4_646 ?
Na3 Na2 3.4177(9) 4_646 ?
Na3 Na4 3.5295(9) 2_655 ?
Na3 Na4 3.4798(8) 5_676 ?
Na3 F1 2.4350(8) 4_646 ?
Na3 F1 2.2682(8) . ?
Na3 F3 2.3838(10) . ?
Na3 F4 2.4604(11) 3_556 ?
Na3 O3 2.4561(9) 5_676 ?
Na3 O4 2.2726(9) 8_566 ?
Na3 Be1 3.0330(14) 5_676 ?
Na4 Na2 3.3564(7) 2_655 ?
Na4 F1 2.5749(9) 2_655 ?
Na4 F3 2.2281(8) 2_655 ?
Na4 F4 2.6931(8) 7_565 ?
Na4 F5 2.2706(8) 8_475 ?
Na4 F5 2.6444(9) 2_655 ?
Na4 O2 2.3886(10) 7_565 ?
Na4 O3 2.4698(12) . ?
Na4 Be1 2.9334(16) . ?
Na4 Be1 2.9591(15) 7_575 ?
Na4 Be2 3.2019(14) . ?
Na4 Be2 3.0182(14) 7_565 ?
Na5 F2 2.3606(8) . ?
Na5 F2 2.3606(8) 2_655 ?
Na5 F4 2.6557(10) 1_565 ?
Na5 F4 2.6557(10) 2_665 ?
Na5 F5 2.4787(9) 2_655 ?
Na5 F5 2.4787(9) . ?
Na5 O2 2.5881(10) 2_665 ?
Na5 O2 2.5881(10) 1_565 ?
Na5 Be1 3.0140(14) 2_655 ?
Na5 Be1 3.0140(14) . ?
Na5 Be2 3.0477(15) 1_565 ?
Na5 Be2 3.0477(15) 2_665 ?
F1 Na3 2.4350(8) 4_656 ?
F1 Na4 2.5749(9) 2_655 ?
F1 Be1 1.5519(15) 8_576 ?
F2 Be1 1.5339(15) . ?
F3 Na4 2.2281(8) 2_655 ?
F3 Be2 1.5464(15) 2_655 ?
F4 Na1 2.3048(7) 2_645 ?
F4 Na3 2.4604(11) 3_444 ?
F4 Na4 2.6931(8) 7_565 ?
F4 Na5 2.6557(10) 1_545 ?
F4 Be2 1.5596(15) . ?
F5 Na4 2.2706(8) 8_576 ?
F5 Na4 2.6444(9) 2_655 ?
F5 Be1 1.5719(15) 2_655 ?
O1 P1 1.5361(9) 2_655 ?
O1 Na2 2.3789(9) 2_655 ?
O1 Be2 1.6096(15) . ?
O2 Na4 2.3886(10) 7_565 ?
O2 Na5 2.5881(10) 1_545 ?
O2 Be2 1.6506(15) . ?
O3 Na3 2.4561(9) 5_676 ?
O3 Be1 1.6120(15) . ?
O4 Na1 2.3578(9) 1_545 ?
O4 Na2 2.3418(9) 5_676 ?
O4 Na3 2.2726(9) 8_465 ?
Be1 Na3 3.0330(14) 5_676 ?
Be1 Na4 2.9591(15) 7_575 ?
Be1 F1 1.5519(15) 8_475 ?
Be1 F5 1.5719(15) 2_655 ?
Be2 Na1 3.3204(13) 2_645 ?
Be2 Na2 2.9551(14) 2_655 ?
Be2 Na4 3.0182(14) 7_565 ?
Be2 Na5 3.0477(15) 1_545 ?
Be2 F3 1.5464(15) 2_655 ?

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 P1 Na4 152.125(12) 1_545 . ?
Na2 P1 Na1 59.998(13) 5_676 1_545 ?
Na2 P1 Na4 118.349(18) 5_676 . ?
O1 P1 Na1 79.20(4) 2_655 1_545 ?
O1 P1 Na2 90.41(4) 2_655 5_676 ?
O1 P1 Na4 128.00(4) 2_655 . ?
O1 P1 O2 109.01(4) 2_655 . ?
O1 P1 O3 108.69(4) 2_655 . ?
O2 P1 Na1 100.16(3) . 1_545 ?
O2 P1 Na2 149.81(3) . 5_676 ?
O2 P1 Na4 67.69(4) . . ?
O3 P1 Na1 144.93(3) . 1_545 ?
O3 P1 Na2 85.41(4) . 5_676 ?
O3 P1 Na4 41.36(3) . . ?
O3 P1 O2 108.65(5) . . ?
O4 P1 Na1 39.69(3) . 1_545 ?
O4 P1 Na2 39.89(3) . 5_676 ?
O4 P1 Na4 118.81(3) . . ?
O4 P1 O1 110.93(5) . 2_655 ?
O4 P1 O2 110.11(5) . . ?
O4 P1 O3 109.41(5) . . ?
P1 Na1 P1 180.0 1_565 5_676 ?
P1 Na1 Be2 51.32(3) 5_676 6_576 ?
P1 Na1 Be2 128.68(3) 5_676 2_665 ?
P1 Na1 Be2 51.32(3) 1_565 2_665 ?
P1 Na1 Be2 128.68(3) 1_565 6_576 ?
Na2 Na1 P1 59.660(12) . 5_676 ?
Na2 Na1 P1 59.660(12) 5_686 1_565 ?
Na2 Na1 P1 120.340(12) 5_686 5_676 ?
Na2 Na1 P1 120.340(12) . 1_565 ?
Na2 Na1 Na2 180.0 5_686 . ?
Na2 Na1 Be2 90.13(3) 5_686 6_576 ?
Na2 Na1 Be2 89.87(2) . 6_576 ?
Na2 Na1 Be2 89.87(3) 5_686 2_665 ?
Na2 Na1 Be2 90.13(3) . 2_665 ?
F2 Na1 P1 89.65(2) . 5_676 ?
F2 Na1 P1 90.35(2) 5_686 5_676 ?
F2 Na1 P1 90.35(2) . 1_565 ?
F2 Na1 P1 89.65(2) 5_686 1_565 ?
F2 Na1 Na2 136.93(2) . 5_686 ?
F2 Na1 Na2 136.93(2) 5_686 . ?
F2 Na1 Na2 43.07(2) . . ?
F2 Na1 Na2 43.07(2) 5_686 5_686 ?
F2 Na1 F2 180.0 5_686 . ?
F2 Na1 O4 85.12(3) 5_686 1_565 ?
F2 Na1 O4 85.12(3) . 5_676 ?
F2 Na1 O4 94.88(3) . 1_565 ?
F2 Na1 O4 94.88(3) 5_686 5_676 ?
F2 Na1 Be2 93.99(3) 5_686 6_576 ?
F2 Na1 Be2 93.99(3) . 2_665 ?
F2 Na1 Be2 86.01(3) 5_686 2_665 ?
F2 Na1 Be2 86.01(3) . 6_576 ?
F4 Na1 P1 106.33(2) 6_576 1_565 ?
F4 Na1 P1 73.67(2) 2_665 1_565 ?
F4 Na1 P1 73.67(2) 6_576 5_676 ?
F4 Na1 P1 106.33(2) 2_665 5_676 ?
F4 Na1 Na2 112.802(19) 6_576 . ?
F4 Na1 Na2 112.802(19) 2_665 5_686 ?
F4 Na1 Na2 67.198(19) 6_576 5_686 ?
F4 Na1 Na2 67.198(19) 2_665 . ?
F4 Na1 F2 96.81(3) 6_576 . ?
F4 Na1 F2 83.19(3) 6_576 5_686 ?
F4 Na1 F2 83.19(3) 2_665 . ?
F4 Na1 F2 96.81(3) 2_665 5_686 ?
F4 Na1 F4 180.0 6_576 2_665 ?
F4 Na1 O4 97.72(3) 2_665 1_565 ?
F4 Na1 O4 97.72(3) 6_576 5_676 ?
F4 Na1 O4 82.28(3) 2_665 5_676 ?
F4 Na1 O4 82.28(3) 6_576 1_565 ?
F4 Na1 Be2 24.71(3) 6_576 6_576 ?
F4 Na1 Be2 155.29(3) 2_665 6_576 ?
F4 Na1 Be2 155.29(3) 6_576 2_665 ?
F4 Na1 Be2 24.71(3) 2_665 2_665 ?
O4 Na1 P1 155.893(19) 1_565 5_676 ?
O4 Na1 P1 24.107(19) 5_676 5_676 ?
O4 Na1 P1 24.107(19) 1_565 1_565 ?
O4 Na1 P1 155.893(19) 5_676 1_565 ?
O4 Na1 Na2 134.82(2) 1_565 . ?
O4 Na1 Na2 45.18(2) 1_565 5_686 ?
O4 Na1 Na2 134.82(2) 5_676 5_686 ?
O4 Na1 Na2 45.18(2) 5_676 . ?
O4 Na1 O4 180.0 1_565 5_676 ?
O4 Na1 Be2 74.69(3) 5_676 6_576 ?
O4 Na1 Be2 74.69(3) 1_565 2_665 ?
O4 Na1 Be2 105.31(3) 5_676 2_665 ?
O4 Na1 Be2 105.31(3) 1_565 6_576 ?
Be2 Na1 Be2 180.00(4) 6_576 2_665 ?
P1 Na2 Na1 60.342(12) 5_676 . ?
P1 Na2 Na4 127.74(2) 5_676 2_655 ?
P1 Na2 Na5 123.866(18) 5_676 . ?
Na1 Na2 Na4 143.522(18) . 2_655 ?
Na1 Na2 Na5 63.543(14) . . ?
Na3 Na2 P1 64.175(18) . 5_676 ?
Na3 Na2 Na1 115.961(18) . . ?
Na3 Na2 Na4 64.23(2) . 2_655 ?
Na3 Na2 Na5 151.488(19) . . ?
Na4 Na2 Na5 98.67(2) 2_655 . ?
F1 Na2 P1 86.89(3) . 5_676 ?
F1 Na2 Na1 104.51(2) . . ?
F1 Na2 Na3 42.95(2) . . ?
F1 Na2 Na4 48.49(2) . 2_655 ?
F1 Na2 Na5 108.55(3) . . ?
F1 Na2 Be2 97.33(3) . 2_655 ?
F2 Na2 P1 91.16(3) . 5_676 ?
F2 Na2 Na1 44.36(2) . . ?
F2 Na2 Na3 155.34(3) . . ?
F2 Na2 Na4 140.07(3) . 2_655 ?
F2 Na2 Na5 44.18(2) . . ?
F2 Na2 F1 142.06(3) . . ?
F2 Na2 F3 149.74(3) . . ?
F2 Na2 F5 90.86(3) . . ?
F2 Na2 O1 86.70(3) . 2_655 ?
F2 Na2 O4 86.72(4) . 5_676 ?
F2 Na2 Be2 118.46(4) . 2_655 ?
F3 Na2 P1 102.49(2) . 5_676 ?
F3 Na2 Na1 161.89(2) . . ?
F3 Na2 Na3 46.54(2) . . ?
F3 Na2 Na4 41.45(2) . 2_655 ?
F3 Na2 Na5 133.44(3) . . ?
F3 Na2 F1 66.53(3) . . ?
F3 Na2 O1 63.71(3) . 2_655 ?
F3 Na2 Be2 31.33(3) . 2_655 ?
F5 Na2 P1 148.92(3) . 5_676 ?
F5 Na2 Na1 101.57(2) . . ?
F5 Na2 Na3 110.15(3) . . ?
F5 Na2 Na4 51.80(2) . 2_655 ?
F5 Na2 Na5 47.19(2) . . ?
F5 Na2 F1 72.83(3) . . ?
F5 Na2 F3 90.95(3) . . ?
F5 Na2 O1 105.20(3) . 2_655 ?
F5 Na2 O4 124.98(3) . 5_676 ?
F5 Na2 Be2 94.95(3) . 2_655 ?
O1 Na2 P1 105.88(3) 2_655 5_676 ?
O1 Na2 Na1 123.89(3) 2_655 . ?
O1 Na2 Na3 99.49(3) 2_655 . ?
O1 Na2 Na4 90.08(3) 2_655 2_655 ?
O1 Na2 Na5 103.33(3) 2_655 . ?
O1 Na2 F1 130.18(3) 2_655 . ?
O1 Na2 Be2 32.93(3) 2_655 2_655 ?
O4 Na2 P1 24.39(2) 5_676 5_676 ?
O4 Na2 Na1 45.58(2) 5_676 . ?
O4 Na2 Na3 70.85(3) 5_676 . ?
O4 Na2 Na4 124.21(3) 5_676 2_655 ?
O4 Na2 Na5 106.06(3) 5_676 . ?
O4 Na2 F1 76.18(3) 5_676 . ?
O4 Na2 F3 116.36(3) 5_676 . ?
O4 Na2 O1 129.44(3) 5_676 2_655 ?
O4 Na2 Be2 133.53(4) 5_676 2_655 ?
Be2 Na2 P1 111.14(3) 2_655 5_676 ?
Be2 Na2 Na1 155.67(3) 2_655 . ?
Be2 Na2 Na3 73.77(3) 2_655 . ?
Be2 Na2 Na4 60.57(3) 2_655 2_655 ?
Be2 Na2 Na5 119.29(3) 2_655 . ?
Na1 Na3 Na2 58.362(18) 4_646 4_646 ?
Na1 Na3 Na4 90.99(2) 4_646 5_676 ?
Na1 Na3 Na4 89.68(2) 4_646 2_655 ?
Na2 Na3 Na1 138.48(2) . 4_646 ?
Na2 Na3 Na2 157.90(2) . 4_646 ?
Na2 Na3 Na4 117.28(2) 4_646 2_655 ?
Na2 Na3 Na4 116.56(2) . 5_676 ?
Na2 Na3 Na4 58.914(18) . 2_655 ?
Na2 Na3 Na4 69.447(18) 4_646 5_676 ?
Na4 Na3 Na4 172.195(16) 5_676 2_655 ?
F1 Na3 Na1 82.19(2) . 4_646 ?
F1 Na3 Na1 111.89(2) 4_646 4_646 ?
F1 Na3 Na2 108.35(3) 4_646 . ?
F1 Na3 Na2 139.20(3) . 4_646 ?
F1 Na3 Na2 53.66(2) 4_646 4_646 ?
F1 Na3 Na2 56.73(2) . . ?
F1 Na3 Na4 46.74(2) . 2_655 ?
F1 Na3 Na4 62.88(2) 4_646 5_676 ?
F1 Na3 Na4 123.86(2) 4_646 2_655 ?
F1 Na3 Na4 125.70(3) . 5_676 ?
F1 Na3 F1 164.40(2) . 4_646 ?
F1 Na3 F3 75.20(3) . . ?
F1 Na3 F4 99.29(3) 4_646 3_556 ?
F1 Na3 F4 95.66(3) . 3_556 ?
F1 Na3 O3 61.67(3) 4_646 5_676 ?
F1 Na3 O3 113.49(3) . 5_676 ?
F1 Na3 O4 101.96(3) . 8_566 ?
F1 Na3 Be1 30.55(3) 4_646 5_676 ?
F1 Na3 Be1 140.45(4) . 5_676 ?
F3 Na3 Na1 123.05(3) . 4_646 ?
F3 Na3 Na2 116.13(3) . 4_646 ?
F3 Na3 Na2 45.73(2) . . ?
F3 Na3 Na4 143.96(2) . 5_676 ?
F3 Na3 Na4 38.47(2) . 2_655 ?
F3 Na3 F1 90.95(3) . 4_646 ?
F3 Na3 F4 165.60(3) . 3_556 ?
F3 Na3 O3 101.63(3) . 5_676 ?
F3 Na3 Be1 91.69(4) . 5_676 ?
F4 Na3 Na1 43.44(2) 3_556 4_646 ?
F4 Na3 Na2 63.81(3) 3_556 4_646 ?
F4 Na3 Na2 137.33(3) 3_556 . ?
F4 Na3 Na4 50.42(2) 3_556 5_676 ?
F4 Na3 Na4 127.54(3) 3_556 2_655 ?
F4 Na3 Be1 102.28(4) 3_556 5_676 ?
O3 Na3 Na1 135.29(3) 5_676 4_646 ?
O3 Na3 Na2 74.14(3) 5_676 . ?
O3 Na3 Na2 102.71(3) 5_676 4_646 ?
O3 Na3 Na4 132.29(3) 5_676 2_655 ?
O3 Na3 Na4 45.21(3) 5_676 5_676 ?
O3 Na3 F4 92.18(3) 5_676 3_556 ?
O3 Na3 Be1 32.01(3) 5_676 5_676 ?
O4 Na3 Na1 44.64(2) 8_566 4_646 ?
O4 Na3 Na2 43.00(2) 8_566 4_646 ?
O4 Na3 Na2 132.49(3) 8_566 . ?
O4 Na3 Na4 110.14(3) 8_566 5_676 ?
O4 Na3 Na4 75.58(3) 8_566 2_655 ?
O4 Na3 F1 84.94(3) 8_566 4_646 ?
O4 Na3 F3 90.21(4) 8_566 . ?
O4 Na3 F4 80.70(3) 8_566 3_556 ?
O4 Na3 O3 144.39(3) 8_566 5_676 ?
O4 Na3 Be1 115.48(4) 8_566 5_676 ?
Be1 Na3 Na1 133.77(3) 5_676 4_646 ?
Be1 Na3 Na2 87.26(3) 5_676 . ?
Be1 Na3 Na2 80.16(3) 5_676 4_646 ?
Be1 Na3 Na4 130.14(3) 5_676 2_655 ?
Be1 Na3 Na4 53.00(3) 5_676 5_676 ?
F1 Na4 Na2 54.05(2) 2_655 2_655 ?
F1 Na4 F4 130.59(3) 2_655 7_565 ?
F1 Na4 F5 70.81(3) 2_655 2_655 ?
F1 Na4 Be1 31.61(3) 2_655 7_575 ?
F1 Na4 Be1 101.45(4) 2_655 . ?
F1 Na4 Be2 132.26(4) 2_655 7_565 ?
F1 Na4 Be2 95.91(3) 2_655 . ?
F3 Na4 Na2 44.33(2) 2_655 2_655 ?
F3 Na4 F1 72.08(3) 2_655 2_655 ?
F3 Na4 F4 143.39(3) 2_655 7_565 ?
F3 Na4 F5 133.95(3) 2_655 8_475 ?
F3 Na4 F5 84.48(3) 2_655 2_655 ?
F3 Na4 O2 91.75(3) 2_655 7_565 ?
F3 Na4 O3 96.88(3) 2_655 . ?
F3 Na4 Be1 103.28(4) 2_655 . ?
F3 Na4 Be1 102.65(4) 2_655 7_575 ?
F3 Na4 Be2 112.73(4) 2_655 7_565 ?
F3 Na4 Be2 25.99(3) 2_655 . ?
F4 Na4 Na2 169.13(2) 7_565 2_655 ?
F4 Na4 Be1 99.36(4) 7_565 . ?
F4 Na4 Be1 100.14(4) 7_565 7_575 ?
F4 Na4 Be2 128.92(3) 7_565 . ?
F4 Na4 Be2 31.03(3) 7_565 7_565 ?
F5 Na4 Na2 42.245(18) 2_655 2_655 ?
F5 Na4 Na2 103.86(3) 8_475 2_655 ?
F5 Na4 F1 61.92(3) 8_475 2_655 ?
F5 Na4 F4 127.32(3) 2_655 7_565 ?
F5 Na4 F4 74.54(3) 8_475 7_565 ?
F5 Na4 F5 82.75(3) 8_475 2_655 ?
F5 Na4 O2 95.99(4) 8_475 7_565 ?
F5 Na4 O3 114.41(3) 8_475 . ?
F5 Na4 Be1 81.27(4) 2_655 7_575 ?
F5 Na4 Be1 32.21(3) 2_655 . ?
F5 Na4 Be1 88.34(4) 8_475 . ?
F5 Na4 Be1 31.64(3) 8_475 7_575 ?
F5 Na4 Be2 82.40(3) 2_655 . ?
F5 Na4 Be2 156.50(4) 8_475 . ?
F5 Na4 Be2 97.19(4) 8_475 7_565 ?
F5 Na4 Be2 153.63(3) 2_655 7_565 ?
O2 Na4 Na2 132.48(3) 7_565 2_655 ?
O2 Na4 F1 102.76(3) 7_565 2_655 ?
O2 Na4 F4 58.19(3) 7_565 7_565 ?
O2 Na4 F5 173.29(3) 7_565 2_655 ?
O2 Na4 O3 125.38(4) 7_565 . ?
O2 Na4 Be1 94.18(4) 7_565 7_575 ?
O2 Na4 Be1 154.49(4) 7_565 . ?
O2 Na4 Be2 96.63(4) 7_565 . ?
O2 Na4 Be2 33.01(3) 7_565 7_565 ?
O3 Na4 Na2 84.41(3) . 2_655 ?
O3 Na4 F1 131.22(3) . 2_655 ?
O3 Na4 F4 86.52(3) . 7_565 ?
O3 Na4 F5 60.76(3) . 2_655 ?
O3 Na4 Be1 33.33(3) . . ?
O3 Na4 Be1 135.13(4) . 7_575 ?
O3 Na4 Be2 73.23(4) . . ?
O3 Na4 Be2 96.19(4) . 7_565 ?
Be1 Na4 Na2 82.23(3) 7_575 2_655 ?
Be1 Na4 Na2 69.78(3) . 2_655 ?
Be1 Na4 Be1 102.30(4) . 7_575 ?
Be1 Na4 Be2 112.23(4) 7_575 7_565 ?
Be1 Na4 Be2 88.74(4) . . ?
Be1 Na4 Be2 127.39(4) 7_575 . ?
Be1 Na4 Be2 121.53(4) . 7_565 ?
Be2 Na4 Na2 156.60(3) 7_565 2_655 ?
Be2 Na4 Na2 53.50(3) . 2_655 ?
Be2 Na4 Be2 104.18(3) 7_565 . ?
F2 Na5 F2 118.84(4) . 2_655 ?
F2 Na5 F4 75.03(2) 2_655 1_565 ?
F2 Na5 F4 127.73(2) 2_655 2_665 ?
F2 Na5 F4 127.73(2) . 1_565 ?
F2 Na5 F4 75.03(2) . 2_665 ?
F2 Na5 F5 61.31(3) . 2_655 ?
F2 Na5 F5 61.31(3) 2_655 . ?
F2 Na5 F5 83.36(3) . . ?
F2 Na5 F5 83.36(3) 2_655 2_655 ?
F2 Na5 O2 96.46(2) 2_655 2_665 ?
F2 Na5 O2 131.34(3) 2_655 1_565 ?
F2 Na5 O2 131.34(3) . 2_665 ?
F2 Na5 O2 96.46(2) . 1_565 ?
F2 Na5 Be1 30.16(3) . . ?
F2 Na5 Be1 30.16(3) 2_655 2_655 ?
F2 Na5 Be1 104.87(4) . 2_655 ?
F2 Na5 Be1 104.87(4) 2_655 . ?
F2 Na5 Be2 126.97(3) 2_655 2_665 ?
F2 Na5 Be2 100.29(3) . 2_665 ?
F2 Na5 Be2 100.29(3) 2_655 1_565 ?
F2 Na5 Be2 126.97(3) . 1_565 ?
F4 Na5 F4 139.32(4) 2_665 1_565 ?
F4 Na5 Be1 99.63(3) 2_665 2_655 ?
F4 Na5 Be1 99.63(3) 1_565 . ?
F4 Na5 Be1 104.36(3) 1_565 2_655 ?
F4 Na5 Be1 104.36(3) 2_665 . ?
F4 Na5 Be2 109.05(4) 2_665 1_565 ?
F4 Na5 Be2 30.77(3) 2_665 2_665 ?
F4 Na5 Be2 30.77(3) 1_565 1_565 ?
F4 Na5 Be2 109.05(4) 1_565 2_665 ?
F5 Na5 F4 135.61(3) . 1_565 ?
F5 Na5 F4 135.61(3) 2_655 2_665 ?
F5 Na5 F4 72.09(3) 2_655 1_565 ?
F5 Na5 F4 72.09(3) . 2_665 ?
F5 Na5 F5 108.32(4) 2_655 . ?
F5 Na5 O2 162.92(3) 2_655 2_665 ?
F5 Na5 O2 162.92(3) . 1_565 ?
F5 Na5 O2 86.21(3) . 2_665 ?
F5 Na5 O2 86.21(3) 2_655 1_565 ?
F5 Na5 Be1 31.37(3) 2_655 . ?
F5 Na5 Be1 98.87(4) . . ?
F5 Na5 Be1 31.37(3) . 2_655 ?
F5 Na5 Be1 98.87(4) 2_655 2_655 ?
F5 Na5 Be2 92.08(4) . 2_665 ?
F5 Na5 Be2 149.45(3) . 1_565 ?
F5 Na5 Be2 92.08(4) 2_655 1_565 ?
F5 Na5 Be2 149.45(3) 2_655 2_665 ?
O2 Na5 F4 91.31(3) 1_565 2_665 ?
O2 Na5 F4 91.31(3) 2_665 1_565 ?
O2 Na5 F4 56.56(3) 2_665 2_665 ?
O2 Na5 F4 56.56(3) 1_565 1_565 ?
O2 Na5 O2 81.11(4) 2_665 1_565 ?
O2 Na5 Be1 88.94(3) 2_665 2_655 ?
O2 Na5 Be1 157.89(3) 2_665 . ?
O2 Na5 Be1 157.89(3) 1_565 2_655 ?
O2 Na5 Be1 88.94(3) 1_565 . ?
O2 Na5 Be2 71.09(4) 1_565 2_665 ?
O2 Na5 Be2 32.79(3) 2_665 2_665 ?
O2 Na5 Be2 71.09(4) 2_665 1_565 ?
O2 Na5 Be2 32.79(3) 1_565 1_565 ?
Be1 Na5 Be1 106.62(6) . 2_655 ?
Be1 Na5 Be2 125.15(4) 2_655 1_565 ?
Be1 Na5 Be2 125.15(4) . 2_665 ?
Be1 Na5 Be2 109.89(4) 2_655 2_665 ?
Be1 Na5 Be2 109.89(4) . 1_565 ?
Be2 Na5 Be2 79.92(6) 2_665 1_565 ?
Na3 F1 Na2 80.32(3) . . ?
Na3 F1 Na2 81.53(2) 4_656 . ?
Na3 F1 Na3 106.66(3) . 4_656 ?
Na3 F1 Na4 93.35(3) . 2_655 ?
Na3 F1 Na4 148.00(3) 4_656 2_655 ?
Na4 F1 Na2 77.46(3) 2_655 . ?
Be1 F1 Na2 146.21(6) 8_576 . ?
Be1 F1 Na3 131.45(6) 8_576 . ?
Be1 F1 Na3 96.55(6) 8_576 4_656 ?
Be1 F1 Na4 87.98(6) 8_576 2_655 ?
Na1 F2 Na5 97.72(3) . . ?
Na2 F2 Na1 92.58(3) . . ?
Na2 F2 Na5 94.04(3) . . ?
Be1 F2 Na1 135.82(6) . . ?
Be1 F2 Na2 126.32(7) . . ?
Be1 F2 Na5 99.21(6) . . ?
Na2 F3 Na3 87.73(3) . . ?
Na4 F3 Na2 94.22(3) 2_655 . ?
Na4 F3 Na3 99.81(3) 2_655 . ?
Be2 F3 Na2 96.40(6) 2_655 . ?
Be2 F3 Na3 144.58(6) 2_655 . ?
Be2 F3 Na4 114.86(6) 2_655 2_655 ?
Na1 F4 Na3 89.33(3) 2_645 3_444 ?
Na1 F4 Na4 154.24(3) 2_645 7_565 ?
Na1 F4 Na5 90.04(3) 2_645 1_545 ?
Na3 F4 Na4 84.82(3) 3_444 7_565 ?
Na3 F4 Na5 140.38(4) 3_444 1_545 ?
Na5 F4 Na4 78.90(3) 1_545 7_565 ?
Be2 F4 Na1 117.15(6) . 2_645 ?
Be2 F4 Na3 126.19(6) . 3_444 ?
Be2 F4 Na4 86.07(5) . 7_565 ?
Be2 F4 Na5 88.64(6) . 1_545 ?
Na2 F5 Na4 85.95(3) . 2_655 ?
Na2 F5 Na4 120.19(3) . 8_576 ?
Na2 F5 Na5 90.78(3) . . ?
Na4 F5 Na4 97.25(3) 8_576 2_655 ?
Na4 F5 Na5 91.29(3) 8_576 . ?
Na5 F5 Na4 171.38(3) . 2_655 ?
Be1 F5 Na2 140.37(6) 2_655 . ?
Be1 F5 Na4 99.10(6) 2_655 8_576 ?
Be1 F5 Na4 84.07(6) 2_655 2_655 ?
Be1 F5 Na5 93.45(6) 2_655 . ?
P1 O1 Na2 134.48(5) 2_655 2_655 ?
P1 O1 Be2 131.86(7) 2_655 . ?
Be2 O1 Na2 93.61(6) . 2_655 ?
P1 O2 Na4 128.17(4) . 7_565 ?
P1 O2 Na5 111.71(4) . 1_545 ?
P1 O2 Be2 131.72(7) . . ?
Na4 O2 Na5 86.05(3) 7_565 1_545 ?
Be2 O2 Na4 94.95(6) . 7_565 ?
Be2 O2 Na5 89.10(6) . 1_545 ?
P1 O3 Na3 119.74(4) . 5_676 ?
P1 O3 Na4 114.22(4) . . ?
P1 O3 Be1 137.14(7) . . ?
Na3 O3 Na4 89.89(3) 5_676 . ?
Be1 O3 Na3 94.11(6) . 5_676 ?
Be1 O3 Na4 89.33(6) . . ?
P1 O4 Na1 116.20(4) . 1_545 ?
P1 O4 Na2 115.72(5) . 5_676 ?
P1 O4 Na3 136.19(5) . 8_465 ?
Na2 O4 Na1 89.24(3) 5_676 1_545 ?
Na3 O4 Na1 92.73(3) 8_465 1_545 ?
Na3 O4 Na2 95.56(3) 8_465 5_676 ?
Na3 Be1 Na2 117.29(4) 5_676 . ?
Na4 Be1 Na2 132.84(5) . . ?
Na4 Be1 Na2 131.85(5) 7_575 . ?
Na4 Be1 Na3 106.97(4) 7_575 5_676 ?
Na4 Be1 Na3 71.33(3) . 5_676 ?
Na4 Be1 Na4 77.70(4) . 7_575 ?
Na4 Be1 Na5 118.40(5) . . ?
Na4 Be1 Na5 69.36(4) 7_575 . ?
Na5 Be1 Na2 63.26(3) . . ?
Na5 Be1 Na3 167.26(5) . 5_676 ?
F1 Be1 Na2 138.55(7) 8_475 . ?
F1 Be1 Na3 52.90(5) 8_475 5_676 ?
F1 Be1 Na4 60.41(5) 8_475 7_575 ?
F1 Be1 Na4 85.59(6) 8_475 . ?
F1 Be1 Na5 117.32(7) 8_475 . ?
F1 Be1 F5 106.70(9) 8_475 2_655 ?
F1 Be1 O3 104.80(8) 8_475 . ?
F2 Be1 Na2 32.35(4) . . ?
F2 Be1 Na3 122.22(7) . 5_676 ?
F2 Be1 Na4 161.70(8) . . ?
F2 Be1 Na4 106.89(7) . 7_575 ?
F2 Be1 Na5 50.63(5) . . ?
F2 Be1 F1 112.24(9) . 8_475 ?
F2 Be1 F5 105.31(9) . 2_655 ?
F2 Be1 O3 118.37(9) . . ?
F5 Be1 Na2 105.07(6) 2_655 . ?
F5 Be1 Na3 132.22(7) 2_655 5_676 ?
F5 Be1 Na4 63.72(5) 2_655 . ?
F5 Be1 Na4 49.26(5) 2_655 7_575 ?
F5 Be1 Na5 55.17(5) 2_655 . ?
F5 Be1 O3 108.90(9) 2_655 . ?
O3 Be1 Na2 89.15(6) . . ?
O3 Be1 Na3 53.87(5) . 5_676 ?
O3 Be1 Na4 134.29(7) . 7_575 ?
O3 Be1 Na4 57.34(5) . . ?
O3 Be1 Na5 137.52(7) . . ?
Na2 Be2 Na1 110.65(4) 2_655 2_645 ?
Na2 Be2 Na4 65.93(3) 2_655 . ?
Na2 Be2 Na4 140.99(5) 2_655 7_565 ?
Na2 Be2 Na5 145.98(5) 2_655 1_545 ?
Na4 Be2 Na1 100.38(4) 7_565 2_645 ?
Na4 Be2 Na1 154.46(5) . 2_645 ?
Na4 Be2 Na4 75.82(3) 7_565 . ?
Na4 Be2 Na5 68.15(3) 7_565 1_545 ?
Na5 Be2 Na1 66.90(3) 1_545 2_645 ?
Na5 Be2 Na4 130.96(4) 1_545 . ?
F3 Be2 Na1 117.44(7) 2_655 2_645 ?
F3 Be2 Na2 52.26(5) 2_655 2_655 ?
F3 Be2 Na4 39.15(4) 2_655 . ?
F3 Be2 Na4 92.84(6) 2_655 7_565 ?
F3 Be2 Na5 160.92(8) 2_655 1_545 ?
F3 Be2 F4 110.17(9) 2_655 . ?
F3 Be2 O1 104.57(9) 2_655 . ?
F3 Be2 O2 111.90(8) 2_655 . ?
F4 Be2 Na1 38.15(4) . 2_645 ?
F4 Be2 Na2 138.87(7) . 2_655 ?
F4 Be2 Na4 127.66(7) . . ?
F4 Be2 Na4 62.90(5) . 7_565 ?
F4 Be2 Na5 60.59(5) . 1_545 ?
F4 Be2 O1 115.89(9) . . ?
F4 Be2 O2 101.42(8) . . ?
O1 Be2 Na1 78.18(5) . 2_645 ?
O1 Be2 Na2 53.46(5) . 2_655 ?
O1 Be2 Na4 113.46(7) . . ?
O1 Be2 Na4 161.15(7) . 7_565 ?
O1 Be2 Na5 94.48(6) . 1_545 ?
O1 Be2 O2 113.10(9) . . ?
O2 Be2 Na1 124.25(7) . 2_645 ?
O2 Be2 Na2 119.47(7) . 2_655 ?
O2 Be2 Na4 52.04(5) . 7_565 ?
O2 Be2 Na4 73.70(5) . . ?
O2 Be2 Na5 58.11(5) . 1_545 ?

_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_KBeFPO3OH
_database_code_depnum_ccdc_archive 'CCDC 2171298'
loop_
_audit_author_name
_audit_author_address
'Yuanyu Yang'
;Shanxi Normal University
China
;
_audit_update_record             
;
2022-05-07 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;
_audit_creation_date             2022-01-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Be F H K O4 P'
_chemical_formula_sum            'Be F H K O4 P'
_chemical_formula_weight         163.09
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Be Be 0.0005 0.0002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.1619(2)
_cell_length_b                   9.5379(2)
_cell_length_c                   11.2519(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.468(2)
_cell_angle_gamma                90
_cell_volume                     871.95(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    2492
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.6300
_cell_measurement_theta_min      3.6300
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.510
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.485
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7626
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         28.246
_diffrn_reflns_theta_min         3.290
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1809
_reflns_number_total             2098
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip  (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.316
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         2098
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0257
_refine_ls_restrained_S_all      1.069
_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)+(0.0171P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0472
_refine_ls_wR_factor_ref         0.0500
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O6-O7
 2.78 with sigma of 0.02
 O3-O7
 2.78 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
K1 K 0.47035(5) 0.70855(4) 0.21330(3) 0.01731(10) Uani 1 1 d . . . . .
P1 P 0.16300(5) 0.08053(4) 0.60944(4) 0.00986(10) Uani 1 1 d . . . . .
K2 K 0.52610(5) 0.31339(5) 0.39494(4) 0.02591(12) Uani 1 1 d . . . . .
P2 P 0.10578(5) 0.57972(4) 0.37624(4) 0.00927(10) Uani 1 1 d . . . . .
F1 F 0.38493(12) 0.40709(10) 0.59238(9) 0.0180(2) Uani 1 1 d . . . . .
F2 F 0.33227(13) 0.89187(11) 0.36955(9) 0.0202(2) Uani 1 1 d . . . . .
O8 O 0.19944(15) 0.19409(12) 0.52125(10) 0.0141(3) Uani 1 1 d . . . . .
O7 O 0.17771(14) 0.69220(11) 0.46006(10) 0.0136(3) Uani 1 1 d D . . . .
O6 O 0.20649(15) 0.93443(11) 0.56919(10) 0.0147(3) Uani 1 1 d D . . . .
O5 O 0.16891(15) 0.43485(11) 0.41129(10) 0.0147(3) Uani 1 1 d . . . . .
O4 O -0.08263(14) 0.58385(12) 0.36413(10) 0.0147(3) Uani 1 1 d . . . . .
O2 O 0.15963(16) 0.61113(13) 0.24831(11) 0.0153(3) Uani 1 1 d . . . . .
O1 O 0.27211(16) 0.11254(13) 0.72939(11) 0.0149(3) Uani 1 1 d . . . . .
O3 O 0.01535(14) 0.91488(12) 0.35996(10) 0.0153(3) Uani 1 1 d D . . . .
Be1 Be 0.1815(3) 0.8614(2) 0.43811(19) 0.0119(4) Uani 1 1 d . . . . .
Be2 Be 0.2115(3) 0.3638(2) 0.54256(19) 0.0118(4) Uani 1 1 d . . . . .
H1 H 0.298(3) 0.052(2) 0.757(2) 0.034(8) Uiso 1 1 d . . . . .
H2 H 0.150(4) 0.539(3) 0.208(3) 0.089(12) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K1 P1 3.4337(6) 4_665 ?
K1 P2 3.7169(6) 2 ?
K1 F1 2.6268(10) 3_666 ?
K1 F2 2.7921(11) . ?
K1 O8 2.8648(12) 2 ?
K1 O6 2.9663(13) 4_675 ?
K1 O5 2.7591(12) 2 ?
K1 O2 2.7642(13) . ?
K1 O1 2.7364(13) 3_666 ?
K1 O3 2.9253(12) 2_545 ?
K1 Be2 3.662(2) 3_666 ?
K1 Be2 3.445(2) 2 ?
K1 H2 3.07(3) . ?
P1 K2 3.6437(6) 4_566 ?
P1 O8 1.5174(12) . ?
P1 O6 1.5177(11) 1_545 ?
P1 O1 1.5745(13) . ?
P1 O3 1.5280(13) 3_566 ?
P1 H1 1.92(2) . ?
K2 F1 2.7633(11) 3_666 ?
K2 F1 2.7476(11) . ?
K2 F2 3.4069(11) 3_666 ?
K2 O8 3.3385(12) . ?
K2 O7 2.7851(12) 3_666 ?
K2 O6 3.2165(12) 3_666 ?
K2 O5 3.1588(13) . ?
K2 O2 2.8552(13) 2_545 ?
K2 O1 2.9518(14) 4_665 ?
K2 O3 3.0155(12) 2_545 ?
K2 Be1 3.339(2) 3_666 ?
K2 Be2 3.225(2) . ?
P2 O7 1.5098(11) . ?
P2 O5 1.5138(11) . ?
P2 O4 1.5314(13) . ?
P2 O2 1.5734(13) . ?
F1 Be2 1.529(2) . ?
F2 Be1 1.541(2) . ?
O8 Be2 1.638(2) . ?
O7 Be1 1.634(2) . ?
O6 Be1 1.626(2) . ?
O5 Be2 1.632(2) . ?
O4 Be2 1.633(2) 3_566 ?
O2 H2 0.82(3) . ?
O1 H1 0.68(2) . ?
O3 Be1 1.626(2) . ?

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
P1 K1 P2 137.963(15) 4_665 2 ?
P1 K1 Be2 77.81(4) 4_665 3_666 ?
P1 K1 Be2 103.62(4) 4_665 2 ?
P1 K1 H2 89.3(6) 4_665 . ?
P2 K1 H2 112.1(6) 2 . ?
F1 K1 P1 76.23(3) 3_666 4_665 ?
F1 K1 P2 132.52(3) 3_666 2 ?
F1 K1 F2 85.14(3) 3_666 . ?
F1 K1 O8 152.41(3) 3_666 2 ?
F1 K1 O6 89.88(3) 3_666 4_675 ?
F1 K1 O5 151.91(3) 3_666 2 ?
F1 K1 O2 94.94(3) 3_666 . ?
F1 K1 O1 77.95(4) 3_666 3_666 ?
F1 K1 O3 78.80(3) 3_666 2_545 ?
F1 K1 Be2 20.91(4) 3_666 3_666 ?
F1 K1 Be2 178.75(5) 3_666 2 ?
F1 K1 H2 96.4(6) 3_666 . ?
F2 K1 P1 160.49(3) . 4_665 ?
F2 K1 P2 60.47(2) . 2 ?
F2 K1 O8 114.92(3) . 2 ?
F2 K1 O6 162.62(3) . 4_675 ?
F2 K1 O3 143.75(3) . 2_545 ?
F2 K1 Be2 86.89(4) . 3_666 ?
F2 K1 Be2 95.13(4) . 2 ?
F2 K1 H2 87.0(6) . . ?
O8 K1 P1 81.07(3) 2 4_665 ?
O8 K1 P2 75.07(2) 2 2 ?
O8 K1 O6 75.92(3) 2 4_675 ?
O8 K1 O3 73.92(3) 2 2_545 ?
O8 K1 Be2 28.22(4) 2 2 ?
O8 K1 Be2 158.17(4) 2 3_666 ?
O8 K1 H2 67.6(6) 2 . ?
O6 K1 P1 26.15(2) 4_675 4_665 ?
O6 K1 P2 112.97(2) 4_675 2 ?
O6 K1 Be2 89.51(4) 4_675 2 ?
O6 K1 Be2 82.65(4) 4_675 3_666 ?
O6 K1 H2 110.1(6) 4_675 . ?
O5 K1 P1 129.43(3) 2 4_665 ?
O5 K1 P2 21.09(2) 2 2 ?
O5 K1 F2 70.04(3) 2 . ?
O5 K1 O8 55.24(3) 2 2 ?
O5 K1 O6 109.85(3) 2 4_675 ?
O5 K1 O2 89.79(4) 2 . ?
O5 K1 O3 129.16(3) 2 2_545 ?
O5 K1 Be2 27.79(4) 2 2 ?
O5 K1 Be2 139.21(4) 2 3_666 ?
O5 K1 H2 95.3(6) 2 . ?
O2 K1 P1 103.57(3) . 4_665 ?
O2 K1 P2 103.11(3) . 2 ?
O2 K1 F2 71.93(3) . . ?
O2 K1 O8 75.24(4) . 2 ?
O2 K1 O6 125.18(4) . 4_675 ?
O2 K1 O3 77.30(4) . 2_545 ?
O2 K1 Be2 86.31(5) . 2 ?
O2 K1 Be2 115.12(4) . 3_666 ?
O2 K1 H2 15.1(6) . . ?
O1 K1 P1 102.39(3) 3_666 4_665 ?
O1 K1 P2 64.83(3) 3_666 2 ?
O1 K1 F2 78.94(4) 3_666 . ?
O1 K1 O8 122.71(4) 3_666 2 ?
O1 K1 O6 83.74(4) 3_666 4_675 ?
O1 K1 O5 84.37(4) 3_666 2 ?
O1 K1 O2 150.53(4) 3_666 . ?
O1 K1 O3 127.82(4) 3_666 2_545 ?
O1 K1 Be2 100.89(5) 3_666 2 ?
O1 K1 Be2 57.78(4) 3_666 3_666 ?
O1 K1 H2 165.2(6) 3_666 . ?
O3 K1 P1 26.28(2) 2_545 4_665 ?
O3 K1 P2 147.75(3) 2_545 2 ?
O3 K1 O6 50.23(3) 2_545 4_675 ?
O3 K1 Be2 101.64(4) 2_545 2 ?
O3 K1 Be2 89.22(4) 2_545 3_666 ?
O3 K1 H2 63.1(6) 2_545 . ?
Be2 K1 P2 46.88(4) 2 2 ?
Be2 K1 P2 118.11(4) 3_666 2 ?
Be2 K1 Be2 157.85(6) 2 3_666 ?
Be2 K1 H2 84.9(6) 2 . ?
Be2 K1 H2 117.3(6) 3_666 . ?
K1 P1 K2 74.577(13) 4_566 4_566 ?
K1 P1 H1 80.5(7) 4_566 . ?
K2 P1 H1 58.6(8) 4_566 . ?
O8 P1 K1 156.98(5) . 4_566 ?
O8 P1 K2 118.30(5) . 4_566 ?
O8 P1 O6 113.22(7) . 1_545 ?
O8 P1 O1 106.98(7) . . ?
O8 P1 O3 112.16(7) . 3_566 ?
O8 P1 H1 122.3(7) . . ?
O6 P1 K1 59.47(5) 1_545 4_566 ?
O6 P1 K2 128.18(5) 1_545 4_566 ?
O6 P1 O1 107.73(7) 1_545 . ?
O6 P1 O3 110.39(7) 1_545 3_566 ?
O6 P1 H1 89.7(7) 1_545 . ?
O1 P1 K1 95.96(5) . 4_566 ?
O1 P1 K2 52.14(5) . 4_566 ?
O1 P1 H1 19.5(7) . . ?
O3 P1 K1 57.95(5) 3_566 4_566 ?
O3 P1 K2 54.17(5) 3_566 4_566 ?
O3 P1 O1 105.93(7) 3_566 . ?
O3 P1 H1 106.9(8) 3_566 . ?
F1 K2 F1 76.87(3) . 3_666 ?
F1 K2 F2 72.26(3) . 3_666 ?
F1 K2 F2 116.50(3) 3_666 3_666 ?
F1 K2 O8 121.56(3) 3_666 . ?
F1 K2 O8 49.70(3) . . ?
F1 K2 O7 86.56(3) . 3_666 ?
F1 K2 O7 77.24(3) 3_666 3_666 ?
F1 K2 O6 118.00(3) . 3_666 ?
F1 K2 O6 122.06(3) 3_666 3_666 ?
F1 K2 O5 51.18(3) . . ?
F1 K2 O5 83.26(3) 3_666 . ?
F1 K2 O2 115.80(4) . 2_545 ?
F1 K2 O2 143.49(4) 3_666 2_545 ?
F1 K2 O1 67.08(3) 3_666 4_665 ?
F1 K2 O1 142.68(4) . 4_665 ?
F1 K2 O3 130.31(3) . 2_545 ?
F1 K2 O3 75.20(3) 3_666 2_545 ?
F1 K2 Be1 92.28(4) . 3_666 ?
F1 K2 Be1 106.41(4) 3_666 3_666 ?
F1 K2 Be2 92.73(4) 3_666 . ?
F1 K2 Be2 28.25(4) . . ?
O8 K2 F2 72.46(3) . 3_666 ?
O8 K2 Be1 98.47(4) . 3_666 ?
O7 K2 F2 47.32(3) 3_666 3_666 ?
O7 K2 O8 115.34(3) 3_666 . ?
O7 K2 O6 51.08(3) 3_666 3_666 ?
O7 K2 O5 136.66(3) 3_666 . ?
O7 K2 O2 134.61(4) 3_666 2_545 ?
O7 K2 O1 76.68(4) 3_666 4_665 ?
O7 K2 O3 125.15(4) 3_666 2_545 ?
O7 K2 Be1 29.19(4) 3_666 3_666 ?
O7 K2 Be2 112.98(5) 3_666 . ?
O6 K2 F2 45.91(3) 3_666 3_666 ?
O6 K2 O8 104.83(3) 3_666 . ?
O6 K2 Be1 28.65(4) 3_666 3_666 ?
O6 K2 Be2 127.53(4) 3_666 . ?
O5 K2 F2 114.34(3) . 3_666 ?
O5 K2 O8 47.25(3) . . ?
O5 K2 O6 151.79(3) . 3_666 ?
O5 K2 Be1 139.86(4) . 3_666 ?
O5 K2 Be2 29.60(4) . . ?
O2 K2 F2 99.99(3) 2_545 3_666 ?
O2 K2 O8 66.88(3) 2_545 . ?
O2 K2 O6 83.78(3) 2_545 3_666 ?
O2 K2 O5 80.64(3) 2_545 . ?
O2 K2 O1 99.32(4) 2_545 4_665 ?
O2 K2 O3 71.00(3) 2_545 2_545 ?
O2 K2 Be1 107.02(5) 2_545 3_666 ?
O2 K2 Be2 89.17(5) 2_545 . ?
O1 K2 F2 115.31(3) 4_665 3_666 ?
O1 K2 O8 165.71(3) 4_665 . ?
O1 K2 O6 76.16(3) 4_665 3_666 ?
O1 K2 O5 129.50(3) 4_665 . ?
O1 K2 O3 49.03(3) 4_665 2_545 ?
O1 K2 Be1 88.96(5) 4_665 3_666 ?
O1 K2 Be2 155.83(5) 4_665 . ?
O3 K2 F2 157.41(3) 2_545 3_666 ?
O3 K2 O8 119.51(3) 2_545 . ?
O3 K2 O6 111.62(3) 2_545 3_666 ?
O3 K2 O5 85.25(3) 2_545 . ?
O3 K2 Be1 134.81(5) 2_545 3_666 ?
O3 K2 Be2 114.80(5) 2_545 . ?
Be1 K2 F2 26.38(4) 3_666 3_666 ?
Be2 K2 F2 85.00(4) . 3_666 ?
Be2 K2 O8 28.84(4) . . ?
Be2 K2 Be1 110.26(5) . 3_666 ?
K1 P2 K1 106.996(12) 2_545 . ?
K1 P2 K2 108.045(14) 2_545 2 ?
K1 P2 K2 66.879(11) . 2 ?
O7 P2 K1 153.01(5) . 2_545 ?
O7 P2 K1 78.35(5) . . ?
O7 P2 K2 98.43(5) . 2 ?
O7 P2 O5 112.54(6) . . ?
O7 P2 O4 111.39(7) . . ?
O7 P2 O2 108.08(7) . . ?
O5 P2 K1 99.00(5) . . ?
O5 P2 K1 40.99(5) . 2_545 ?
O5 P2 K2 142.91(5) . 2 ?
O5 P2 O4 111.14(7) . . ?
O5 P2 O2 107.12(7) . . ?
O4 P2 K1 81.94(4) . 2_545 ?
O4 P2 K1 140.00(5) . . ?
O4 P2 K2 73.26(5) . 2 ?
O4 P2 O2 106.22(7) . . ?
O2 P2 K1 37.45(5) . . ?
O2 P2 K1 89.28(5) . 2_545 ?
O2 P2 K2 41.04(5) . 2 ?
K1 F1 K2 110.27(4) 3_666 . ?
K1 F1 K2 105.49(3) 3_666 3_666 ?
K2 F1 K2 103.13(3) . 3_666 ?
Be2 F1 K1 121.27(10) . 3_666 ?
Be2 F1 K2 120.59(9) . 3_666 ?
Be2 F1 K2 93.49(9) . . ?
K1 F2 K2 90.14(3) . 3_666 ?
Be1 F2 K1 125.93(10) . . ?
Be1 F2 K2 74.35(9) . 3_666 ?
K1 O8 K2 85.83(3) 2_545 . ?
P1 O8 K1 121.94(6) . 2_545 ?
P1 O8 K2 137.39(6) . . ?
P1 O8 Be2 128.49(11) . . ?
Be2 O8 K1 95.99(9) . 2_545 ?
Be2 O8 K2 71.72(9) . . ?
P2 O7 K2 128.06(6) . 3_666 ?
P2 O7 Be1 128.28(10) . . ?
Be1 O7 K2 94.56(9) . 3_666 ?
K1 O6 K2 93.56(3) 4_576 3_666 ?
P1 O6 K1 94.38(6) 1_565 4_576 ?
P1 O6 K2 144.34(6) 1_565 3_666 ?
P1 O6 Be1 130.62(11) 1_565 . ?
Be1 O6 K1 105.49(9) . 4_576 ?
Be1 O6 K2 79.87(9) . 3_666 ?
K1 O5 K2 91.22(3) 2_545 . ?
P2 O5 K1 117.92(6) . 2_545 ?
P2 O5 K2 127.79(6) . . ?
P2 O5 Be2 130.73(11) . . ?
Be2 O5 K1 100.20(9) . 2_545 ?
Be2 O5 K2 77.43(9) . . ?
P2 O4 Be2 130.79(10) . 3_566 ?
K1 O2 K2 97.90(4) . 2 ?
K1 O2 H2 104(2) . . ?
K2 O2 H2 103(2) 2 . ?
P2 O2 K1 122.31(7) . . ?
P2 O2 K2 117.75(6) . 2 ?
P2 O2 H2 109(2) . . ?
K1 O1 K2 104.80(4) 3_666 4_566 ?
K1 O1 H1 103(2) 3_666 . ?
P1 O1 K1 133.00(7) . 3_666 ?
P1 O1 K2 102.96(6) . 4_566 ?
P1 O1 H1 110(2) . . ?
K2 O1 H1 97(2) 4_566 . ?
K1 O3 K2 92.47(3) 2 2 ?
P1 O3 K1 95.77(5) 3_566 2 ?
P1 O3 K2 101.57(6) 3_566 2 ?
P1 O3 Be1 130.57(11) 3_566 . ?
Be1 O3 K1 113.51(9) . 2 ?
Be1 O3 K2 115.21(9) . 2 ?
K1 Be1 K1 111.28(5) 4_576 2 ?
K2 Be1 K1 148.87(7) 3_666 2 ?
K2 Be1 K1 78.84(4) 3_666 4_576 ?
F2 Be1 K1 81.72(9) . 2 ?
F2 Be1 K1 154.16(12) . 4_576 ?
F2 Be1 K2 79.26(9) . 3_666 ?
F2 Be1 O7 106.82(14) . . ?
F2 Be1 O6 109.65(14) . . ?
F2 Be1 O3 109.56(14) . . ?
O7 Be1 K1 154.33(11) . 2 ?
O7 Be1 K1 71.46(8) . 4_576 ?
O7 Be1 K2 56.25(7) . 3_666 ?
O6 Be1 K1 49.77(7) . 4_576 ?
O6 Be1 K1 92.30(9) . 2 ?
O6 Be1 K2 71.49(8) . 3_666 ?
O6 Be1 O7 106.77(13) . . ?
O6 Be1 O3 112.47(14) . . ?
O3 Be1 K1 94.43(10) . 4_576 ?
O3 Be1 K1 43.84(7) . 2 ?
O3 Be1 K2 167.19(12) . 3_666 ?
O3 Be1 O7 111.38(14) . . ?
K1 Be2 K1 139.83(6) 2_545 3_666 ?
K1 Be2 K2 70.43(4) 3_666 3_666 ?
K1 Be2 K2 134.21(6) 2_545 3_666 ?
K2 Be2 K1 78.82(5) . 2_545 ?
K2 Be2 K1 79.38(5) . 3_666 ?
K2 Be2 K2 75.66(5) . 3_666 ?
F1 Be2 K1 37.82(7) . 3_666 ?
F1 Be2 K1 137.09(12) . 2_545 ?
F1 Be2 K2 58.27(8) . . ?
F1 Be2 K2 39.02(7) . 3_666 ?
F1 Be2 O8 111.15(14) . . ?
F1 Be2 O5 109.25(14) . . ?
F1 Be2 O4 108.20(14) . 3_566 ?
O8 Be2 K1 55.79(7) . 2_545 ?
O8 Be2 K1 87.24(9) . 3_666 ?
O8 Be2 K2 79.44(9) . . ?
O8 Be2 K2 149.05(11) . 3_666 ?
O5 Be2 K1 146.29(12) . 3_666 ?
O5 Be2 K1 52.02(7) . 2_545 ?
O5 Be2 K2 72.96(9) . . ?
O5 Be2 K2 84.16(9) . 3_666 ?
O5 Be2 O8 105.85(13) . . ?
O5 Be2 O4 111.12(14) . 3_566 ?
O4 Be2 K1 114.58(10) 3_566 2_545 ?
O4 Be2 K1 91.69(9) 3_566 3_666 ?
O4 Be2 K2 91.13(9) 3_566 3_666 ?
O4 Be2 K2 165.90(12) 3_566 . ?
O4 Be2 O8 111.27(14) 3_566 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
K1 P1 O8 K1 -1.45(17) 4_566 . . 2_545 ?
K1 P1 O8 K2 -124.89(10) 4_566 . . . ?
K1 P1 O8 Be2 129.30(14) 4_566 . . . ?
K1 P1 O1 K1 169.87(8) 4_566 . . 3_666 ?
K1 P1 O1 K2 -65.17(4) 4_566 . . 4_566 ?
K1 P2 O7 K2 34.22(16) 2_545 . . 3_666 ?
K1 P2 O7 K2 -70.43(7) . . . 3_666 ?
K1 P2 O7 Be1 172.52(11) 2_545 . . . ?
K1 P2 O7 Be1 67.87(13) . . . . ?
K1 P2 O5 K1 -105.60(5) . . . 2_545 ?
K1 P2 O5 K2 116.19(9) 2_545 . . . ?
K1 P2 O5 K2 10.58(7) . . . . ?
K1 P2 O5 Be2 -136.10(18) 2_545 . . . ?
K1 P2 O5 Be2 118.29(14) . . . . ?
K1 P2 O4 Be2 127.42(14) 2_545 . . 3_566 ?
K1 P2 O4 Be2 -125.69(13) . . . 3_566 ?
K1 P2 O2 K1 -119.82(6) 2_545 . . . ?
K1 P2 O2 K2 119.10(6) 2_545 . . 2 ?
K1 P2 O2 K2 -121.09(10) . . . 2 ?
K1 F1 Be2 K1 -116.38(13) 3_666 . . 2_545 ?
K1 F1 Be2 K2 136.22(13) 3_666 . . 3_666 ?
K1 F1 Be2 K2 -116.30(8) 3_666 . . . ?
K1 F1 Be2 O8 -54.36(16) 3_666 . . . ?
K1 F1 Be2 O5 -170.80(8) 3_666 . . . ?
K1 F1 Be2 O4 68.10(15) 3_666 . . 3_566 ?
K1 F2 Be1 K1 -126.29(8) . . . 2 ?
K1 F2 Be1 K1 110.9(2) . . . 4_576 ?
K1 F2 Be1 K2 78.48(8) . . . 3_666 ?
K1 F2 Be1 O7 28.87(17) . . . . ?
K1 F2 Be1 O6 144.21(9) . . . . ?
K1 F2 Be1 O3 -91.89(14) . . . . ?
K1 O8 Be2 K1 -163.29(4) 2_545 . . 3_666 ?
K1 O8 Be2 K2 -83.59(4) 2_545 . . . ?
K1 O8 Be2 K2 -120.38(19) 2_545 . . 3_666 ?
K1 O8 Be2 F1 -133.36(12) 2_545 . . . ?
K1 O8 Be2 O5 -14.86(13) 2_545 . . . ?
K1 O8 Be2 O4 105.97(12) 2_545 . . 3_566 ?
K1 O6 Be1 K1 116.22(5) 4_576 . . 2 ?
K1 O6 Be1 K2 -90.91(4) 4_576 . . 3_666 ?
K1 O6 Be1 F2 -161.75(10) 4_576 . . . ?
K1 O6 Be1 O7 -46.38(14) 4_576 . . . ?
K1 O6 Be1 O3 76.08(13) 4_576 . . . ?
K1 O5 Be2 K1 125.20(17) 2_545 . . 3_666 ?
K1 O5 Be2 K2 165.73(4) 2_545 . . 3_666 ?
K1 O5 Be2 K2 88.97(4) 2_545 . . . ?
K1 O5 Be2 F1 135.37(11) 2_545 . . . ?
K1 O5 Be2 O8 15.61(13) 2_545 . . . ?
K1 O5 Be2 O4 -105.32(12) 2_545 . . 3_566 ?
K1 O3 Be1 K1 116.42(6) 2 . . 4_576 ?
K1 O3 Be1 K2 174.0(5) 2 . . 3_666 ?
K1 O3 Be1 F2 -53.81(15) 2 . . . ?
K1 O3 Be1 O7 -171.77(9) 2 . . . ?
K1 O3 Be1 O6 68.41(15) 2 . . . ?
P1 O8 Be2 K1 -139.73(13) . . . 2_545 ?
P1 O8 Be2 K1 56.98(12) . . . 3_666 ?
P1 O8 Be2 K2 99.9(2) . . . 3_666 ?
P1 O8 Be2 K2 136.68(11) . . . . ?
P1 O8 Be2 F1 86.91(17) . . . . ?
P1 O8 Be2 O5 -154.59(11) . . . . ?
P1 O8 Be2 O4 -33.8(2) . . . 3_566 ?
P1 O6 Be1 K1 -110.01(14) 1_565 . . 4_576 ?
P1 O6 Be1 K1 6.21(15) 1_565 . . 2 ?
P1 O6 Be1 K2 159.08(13) 1_565 . . 3_666 ?
P1 O6 Be1 F2 88.24(17) 1_565 . . . ?
P1 O6 Be1 O7 -156.39(11) 1_565 . . . ?
P1 O6 Be1 O3 -33.9(2) 1_565 . . . ?
P1 O3 Be1 K1 -4.69(14) 3_566 . . 4_576 ?
P1 O3 Be1 K1 -121.11(15) 3_566 . . 2 ?
P1 O3 Be1 K2 52.9(6) 3_566 . . 3_666 ?
P1 O3 Be1 F2 -174.92(10) 3_566 . . . ?
P1 O3 Be1 O7 67.12(19) 3_566 . . . ?
P1 O3 Be1 O6 -52.7(2) 3_566 . . . ?
K2 P1 O8 K1 -121.10(5) 4_566 . . 2_545 ?
K2 P1 O8 K2 115.46(7) 4_566 . . . ?
K2 P1 O8 Be2 9.65(15) 4_566 . . . ?
K2 P1 O1 K1 -124.96(11) 4_566 . . 3_666 ?
K2 P2 O7 K2 -134.59(6) 2 . . 3_666 ?
K2 P2 O7 Be1 3.70(14) 2 . . . ?
K2 P2 O5 K1 -42.34(11) 2 . . 2_545 ?
K2 P2 O5 K2 73.85(10) 2 . . . ?
K2 P2 O5 Be2 -178.44(11) 2 . . . ?
K2 P2 O4 Be2 -120.91(14) 2 . . 3_566 ?
K2 P2 O2 K1 121.09(10) 2 . . . ?
K2 F1 Be2 K1 -0.08(15) . . . 2_545 ?
K2 F1 Be2 K1 -136.22(13) 3_666 . . 3_666 ?
K2 F1 Be2 K1 107.40(14) 3_666 . . 2_545 ?
K2 F1 Be2 K1 116.30(8) . . . 3_666 ?
K2 F1 Be2 K2 -107.48(8) . . . 3_666 ?
K2 F1 Be2 K2 107.48(8) 3_666 . . . ?
K2 F1 Be2 O8 61.94(13) . . . . ?
K2 F1 Be2 O8 169.42(8) 3_666 . . . ?
K2 F1 Be2 O5 -54.49(12) . . . . ?
K2 F1 Be2 O5 52.98(16) 3_666 . . . ?
K2 F1 Be2 O4 -175.60(11) . . . 3_566 ?
K2 F1 Be2 O4 -68.12(15) 3_666 . . 3_566 ?
K2 F2 Be1 K1 32.5(2) 3_666 . . 4_576 ?
K2 F2 Be1 K1 155.23(4) 3_666 . . 2 ?
K2 F2 Be1 O7 -49.60(10) 3_666 . . . ?
K2 F2 Be1 O6 65.74(11) 3_666 . . . ?
K2 F2 Be1 O3 -170.37(14) 3_666 . . . ?
K2 O8 Be2 K1 83.59(4) . . . 2_545 ?
K2 O8 Be2 K1 -79.70(4) . . . 3_666 ?
K2 O8 Be2 K2 -36.79(18) . . . 3_666 ?
K2 O8 Be2 F1 -49.77(11) . . . . ?
K2 O8 Be2 O5 68.73(11) . . . . ?
K2 O8 Be2 O4 -170.44(14) . . . 3_566 ?
K2 O7 Be1 K1 -88.77(3) 3_666 . . 4_576 ?
K2 O7 Be1 K1 170.5(2) 3_666 . . 2 ?
K2 O7 Be1 F2 64.15(12) 3_666 . . . ?
K2 O7 Be1 O6 -53.11(12) 3_666 . . . ?
K2 O7 Be1 O3 -176.25(12) 3_666 . . . ?
K2 O6 Be1 K1 90.91(4) 3_666 . . 4_576 ?
K2 O6 Be1 K1 -152.87(5) 3_666 . . 2 ?
K2 O6 Be1 F2 -70.84(12) 3_666 . . . ?
K2 O6 Be1 O7 44.53(11) 3_666 . . . ?
K2 O6 Be1 O3 166.99(13) 3_666 . . . ?
K2 O5 Be2 K1 36.22(17) . . . 3_666 ?
K2 O5 Be2 K1 -88.97(4) . . . 2_545 ?
K2 O5 Be2 K2 76.75(3) . . . 3_666 ?
K2 O5 Be2 F1 46.40(11) . . . . ?
K2 O5 Be2 O8 -73.37(11) . . . . ?
K2 O5 Be2 O4 165.71(13) . . . 3_566 ?
K2 O3 Be1 K1 -138.70(5) 2 . . 4_576 ?
K2 O3 Be1 K1 104.88(9) 2 . . 2 ?
K2 O3 Be1 K2 -81.1(5) 2 . . 3_666 ?
K2 O3 Be1 F2 51.07(15) 2 . . . ?
K2 O3 Be1 O7 -66.89(15) 2 . . . ?
K2 O3 Be1 O6 173.29(9) 2 . . . ?
P2 O7 Be1 K1 22.2(3) . . . 2 ?
P2 O7 Be1 K1 122.93(12) . . . 4_576 ?
P2 O7 Be1 K2 -148.30(13) . . . 3_666 ?
P2 O7 Be1 F2 -84.15(16) . . . . ?
P2 O7 Be1 O6 158.59(11) . . . . ?
P2 O7 Be1 O3 35.4(2) . . . . ?
P2 O5 Be2 K1 141.50(15) . . . 2_545 ?
P2 O5 Be2 K1 -93.3(2) . . . 3_666 ?
P2 O5 Be2 K2 -52.77(13) . . . 3_666 ?
P2 O5 Be2 K2 -129.53(12) . . . . ?
P2 O5 Be2 F1 -83.13(18) . . . . ?
P2 O5 Be2 O8 157.11(11) . . . . ?
P2 O5 Be2 O4 36.2(2) . . . 3_566 ?
O8 P1 O1 K1 -11.98(11) . . . 3_666 ?
O8 P1 O1 K2 112.98(6) . . . 4_566 ?
O7 P2 O5 K1 173.35(6) . . . 2_545 ?
O7 P2 O5 K2 -70.47(9) . . . . ?
O7 P2 O5 Be2 37.24(17) . . . . ?
O7 P2 O4 Be2 -28.24(15) . . . 3_566 ?
O7 P2 O2 K1 39.15(9) . . . . ?
O7 P2 O2 K2 -81.94(8) . . . 2 ?
O6 P1 O8 K1 64.73(9) 1_545 . . 2_545 ?
O6 P1 O8 K2 -58.70(11) 1_545 . . . ?
O6 P1 O8 Be2 -164.51(13) 1_545 . . . ?
O6 P1 O1 K1 110.06(10) 1_545 . . 3_666 ?
O6 P1 O1 K2 -124.99(6) 1_545 . . 4_566 ?
O5 P2 O7 K2 24.58(10) . . . 3_666 ?
O5 P2 O7 Be1 162.87(13) . . . . ?
O5 P2 O4 Be2 98.13(14) . . . 3_566 ?
O5 P2 O2 K1 -82.36(8) . . . . ?
O5 P2 O2 K2 156.56(7) . . . 2 ?
O4 P2 O7 K2 150.17(7) . . . 3_666 ?
O4 P2 O7 Be1 -71.54(15) . . . . ?
O4 P2 O5 K1 47.62(8) . . . 2_545 ?
O4 P2 O5 K2 163.81(6) . . . . ?
O4 P2 O5 Be2 -88.48(15) . . . . ?
O4 P2 O2 K1 158.79(7) . . . . ?
O4 P2 O2 K2 37.70(8) . . . 2 ?
O2 P2 O7 K2 -93.50(8) . . . 3_666 ?
O2 P2 O7 Be1 44.79(15) . . . . ?
O2 P2 O5 K1 -68.01(8) . . . 2_545 ?
O2 P2 O5 K2 48.18(9) . . . . ?
O2 P2 O5 Be2 155.89(14) . . . . ?
O2 P2 O4 Be2 -145.70(14) . . . 3_566 ?
O1 P1 O8 K1 -176.74(7) . . . 2_545 ?
O1 P1 O8 K2 59.82(10) . . . . ?
O1 P1 O8 Be2 -45.99(15) . . . . ?
O3 P1 O8 K1 -61.01(9) 3_566 . . 2_545 ?
O3 P1 O8 K2 175.55(7) 3_566 . . . ?
O3 P1 O8 Be2 69.74(15) 3_566 . . . ?
O3 P1 O1 K1 -131.80(9) 3_566 . . 3_666 ?
O3 P1 O1 K2 -6.84(7) 3_566 . . 4_566 ?

_olex2_submission_special_instructions 'No special instructions were received'
