# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2383872'
loop_
_audit_author_name
_audit_author_address
'Ya-Xi Huang'
;Xiamen University
China
;
_audit_update_record             
;
2024-09-13 deposited with the CCDC.	2024-10-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cs2 F6 Li3 Na3 O24 P6 Si Zn6'
_chemical_formula_weight         1459.74

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
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'
Si Si 0.0817 0.0704 '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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           173
_space_group_name_H-M_alt        'P 63'
_space_group_name_Hall           'P 6c'

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

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

_cell_length_a                   12.4677(2)
_cell_length_b                   12.4677(2)
_cell_length_c                   4.98710(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     671.35(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3772
_cell_measurement_theta_min      1.9000
_cell_measurement_theta_max      29.2920

_exptl_crystal_description       column
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.611
_exptl_crystal_F_000             682
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    8.540
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.16350
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_reflns_number            6161
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_theta_min         1.886
_diffrn_reflns_theta_max         29.343
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.911
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.874
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             1077
_reflns_number_gt                1017
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.732
_reflns_Friedel_fraction_max     0.829
_reflns_Friedel_fraction_full    0.994

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0190P)²+3.6542P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0054(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 391 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.025(18)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         1077
_refine_ls_number_parameters     81
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_ref         0.0667
_refine_ls_wR_factor_gt          0.0650
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.150
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.666667 0.333333 0.2901(2) 0.0112(2) Uani 1 3 d S T P . .
Zn1 Zn 0.34682(6) 0.41677(6) 0.3019(3) 0.0052(2) Uani 1 1 d . . . . .
P1 P 0.41060(14) 0.31892(14) 0.8032(8) 0.0043(4) Uani 1 1 d . . . . .
O1 O 0.5477(5) 0.4089(5) 0.7471(14) 0.0111(15) Uani 1 1 d . . . . .
O2 O 0.3850(6) 0.3034(6) 1.1040(12) 0.0101(12) Uani 1 1 d . . . . .
O3 O 0.3759(5) 0.1928(5) 0.6774(12) 0.0077(11) Uani 1 1 d . . . . .
O4 O 0.3287(5) 0.3653(5) 0.6775(12) 0.0083(12) Uani 1 1 d . . . . .
Si1 Si 0.000000 0.000000 0.309(3) 0.0217(19) Uani 0.5 3 d S T P . .
Na1 Na 0.2522(8) 0.1239(6) 1.318(2) 0.035(3) Uani 0.44(2) 1 d . . P . .
Li1 Li 0.2522(8) 0.1239(6) 1.318(2) 0.035(3) Uani 0.56(2) 1 d . . P . .
F1 F 0.9013(11) 0.0185(13) 0.072(3) 0.108(4) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 O1 3.111(6) 3_665 ?
Cs1 O1 3.111(6) 2_655 ?
Cs1 O1 3.111(6) . ?
Cs1 O1 3.438(7) 2_654 ?
Cs1 O1 3.438(7) 3_664 ?
Cs1 O1 3.438(7) 1_554 ?
Cs1 O2 3.468(6) 2_654 ?
Cs1 O2 3.468(6) 3_664 ?
Cs1 O2 3.468(6) 1_554 ?
Cs1 O3 3.687(6) 2_655 ?
Cs1 O3 3.687(6) 3_665 ?
Cs1 O3 3.687(6) . ?
Zn1 O1 1.916(5) 4_664 ?
Zn1 O3 1.943(6) 6_554 ?
Zn1 O4 1.956(6) . ?
Zn1 O2 1.968(6) 1_554 ?
Zn1 Na1 3.228(6) 1_554 ?
Zn1 Na1 3.444(9) 6_553 ?
Zn1 Na1 3.560(9) 6_554 ?
P1 O2 1.526(8) . ?
P1 O1 1.530(5) . ?
P1 O4 1.536(6) . ?
P1 O3 1.540(6) . ?
P1 Na1 3.187(6) 6_554 ?
P1 Na1 3.295(10) 1_554 ?
O2 Li1 2.277(10) . ?
O3 Na1 2.235(11) 1_554 ?
O4 Na1 2.281(9) 6_554 ?
Si1 F1 1.804(15) 2_545 ?
Si1 F1 1.804(15) 1_455 ?
Si1 F1 1.804(15) 3_665 ?
Si1 F1 1.888(17) 5_565 ?
Si1 F1 1.888(17) 4_655 ?
Si1 F1 1.888(17) 6_445 ?
Si1 Si1 2.49355(6) 4 ?
Si1 Si1 2.49355(5) 4_554 ?
Si1 Na1 2.724(8) 1_554 ?
Si1 Na1 2.724(8) 3_554 ?
Si1 Na1 2.724(8) 2_554 ?
Li1 F1 1.978(18) 3_666 ?
Li1 F1 2.240(18) 4_656 ?

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 Cs1 O1 72.26(18) 3_665 2_655 ?
O1 Cs1 O1 72.26(18) 3_665 . ?
O1 Cs1 O1 72.26(18) 2_655 . ?
O1 Cs1 O1 141.88(6) 3_665 2_654 ?
O1 Cs1 O1 99.06(15) 2_655 2_654 ?
O1 Cs1 O1 141.88(6) . 2_654 ?
O1 Cs1 O1 99.06(15) 3_665 3_664 ?
O1 Cs1 O1 141.88(6) 2_655 3_664 ?
O1 Cs1 O1 141.88(6) . 3_664 ?
O1 Cs1 O1 64.48(16) 2_654 3_664 ?
O1 Cs1 O1 141.88(6) 3_665 1_554 ?
O1 Cs1 O1 141.88(6) 2_655 1_554 ?
O1 Cs1 O1 99.07(15) . 1_554 ?
O1 Cs1 O1 64.48(16) 2_654 1_554 ?
O1 Cs1 O1 64.48(16) 3_664 1_554 ?
O1 Cs1 O2 102.50(14) 3_665 2_654 ?
O1 Cs1 O2 67.55(15) 2_655 2_654 ?
O1 Cs1 O2 138.91(15) . 2_654 ?
O1 Cs1 O2 42.79(14) 2_654 2_654 ?
O1 Cs1 O2 78.91(13) 3_664 2_654 ?
O1 Cs1 O2 107.08(15) 1_554 2_654 ?
O1 Cs1 O2 67.55(15) 3_665 3_664 ?
O1 Cs1 O2 138.91(15) 2_655 3_664 ?
O1 Cs1 O2 102.50(14) . 3_664 ?
O1 Cs1 O2 107.08(15) 2_654 3_664 ?
O1 Cs1 O2 42.79(14) 3_664 3_664 ?
O1 Cs1 O2 78.91(13) 1_554 3_664 ?
O2 Cs1 O2 113.11(9) 2_654 3_664 ?
O1 Cs1 O2 138.91(15) 3_665 1_554 ?
O1 Cs1 O2 102.50(14) 2_655 1_554 ?
O1 Cs1 O2 67.55(15) . 1_554 ?
O1 Cs1 O2 78.91(13) 2_654 1_554 ?
O1 Cs1 O2 107.08(15) 3_664 1_554 ?
O1 Cs1 O2 42.79(14) 1_554 1_554 ?
O2 Cs1 O2 113.11(9) 2_654 1_554 ?
O2 Cs1 O2 113.11(9) 3_664 1_554 ?
O1 Cs1 O3 53.36(13) 3_665 2_655 ?
O1 Cs1 O3 41.90(13) 2_655 2_655 ?
O1 Cs1 O3 100.95(15) . 2_655 ?
O1 Cs1 O3 94.96(13) 2_654 2_655 ?
O1 Cs1 O3 102.71(13) 3_664 2_655 ?
O1 Cs1 O3 158.70(14) 1_554 2_655 ?
O2 Cs1 O3 52.17(13) 2_654 2_655 ?
O2 Cs1 O3 103.62(13) 3_664 2_655 ?
O2 Cs1 O3 142.99(13) 1_554 2_655 ?
O1 Cs1 O3 41.90(13) 3_665 3_665 ?
O1 Cs1 O3 100.95(15) 2_655 3_665 ?
O1 Cs1 O3 53.36(13) . 3_665 ?
O1 Cs1 O3 158.70(14) 2_654 3_665 ?
O1 Cs1 O3 94.96(13) 3_664 3_665 ?
O1 Cs1 O3 102.71(13) 1_554 3_665 ?
O2 Cs1 O3 142.99(13) 2_654 3_665 ?
O2 Cs1 O3 52.17(13) 3_664 3_665 ?
O2 Cs1 O3 103.62(13) 1_554 3_665 ?
O3 Cs1 O3 95.07(13) 2_655 3_665 ?
O1 Cs1 O3 100.95(15) 3_665 . ?
O1 Cs1 O3 53.36(13) 2_655 . ?
O1 Cs1 O3 41.90(13) . . ?
O1 Cs1 O3 102.71(13) 2_654 . ?
O1 Cs1 O3 158.70(14) 3_664 . ?
O1 Cs1 O3 94.96(13) 1_554 . ?
O2 Cs1 O3 103.62(13) 2_654 . ?
O2 Cs1 O3 142.99(13) 3_664 . ?
O2 Cs1 O3 52.17(13) 1_554 . ?
O3 Cs1 O3 95.07(13) 2_655 . ?
O3 Cs1 O3 95.07(13) 3_665 . ?
O1 Zn1 O3 106.7(2) 4_664 6_554 ?
O1 Zn1 O4 114.2(3) 4_664 . ?
O3 Zn1 O4 106.6(2) 6_554 . ?
O1 Zn1 O2 117.9(3) 4_664 1_554 ?
O3 Zn1 O2 104.5(2) 6_554 1_554 ?
O4 Zn1 O2 105.9(2) . 1_554 ?
O1 Zn1 Na1 160.4(2) 4_664 1_554 ?
O3 Zn1 Na1 88.3(2) 6_554 1_554 ?
O4 Zn1 Na1 71.8(2) . 1_554 ?
O2 Zn1 Na1 44.2(2) 1_554 1_554 ?
O1 Zn1 Na1 117.8(2) 4_664 6_553 ?
O3 Zn1 Na1 37.4(2) 6_554 6_553 ?
O4 Zn1 Na1 123.2(2) . 6_553 ?
O2 Zn1 Na1 67.9(2) 1_554 6_553 ?
Na1 Zn1 Na1 67.1(2) 1_554 6_553 ?
O1 Zn1 Na1 130.6(3) 4_664 6_554 ?
O3 Zn1 Na1 71.3(2) 6_554 6_554 ?
O4 Zn1 Na1 35.8(2) . 6_554 ?
O2 Zn1 Na1 109.8(2) 1_554 6_554 ?
Na1 Zn1 Na1 65.7(2) 1_554 6_554 ?
Na1 Zn1 Na1 90.79(17) 6_553 6_554 ?
O1 Zn1 Cs1 58.6(2) 4_664 4_665 ?
O3 Zn1 Cs1 87.21(17) 6_554 4_665 ?
O4 Zn1 Cs1 68.41(17) . 4_665 ?
O2 Zn1 Cs1 168.15(18) 1_554 4_665 ?
Na1 Zn1 Cs1 136.67(18) 1_554 4_665 ?
Na1 Zn1 Cs1 123.93(12) 6_553 4_665 ?
Na1 Zn1 Cs1 72.07(14) 6_554 4_665 ?
O1 Zn1 Cs1 46.68(18) 4_664 4_664 ?
O3 Zn1 Cs1 64.08(17) 6_554 4_664 ?
O4 Zn1 Cs1 143.56(16) . 4_664 ?
O2 Zn1 Cs1 110.52(18) 1_554 4_664 ?
Na1 Zn1 Cs1 138.19(18) 1_554 4_664 ?
Na1 Zn1 Cs1 72.27(15) 6_553 4_664 ?
Na1 Zn1 Cs1 125.34(11) 6_554 4_664 ?
Cs1 Zn1 Cs1 75.791(12) 4_665 4_664 ?
O2 P1 O1 111.1(4) . . ?
O2 P1 O4 108.2(4) . . ?
O1 P1 O4 111.0(4) . . ?
O2 P1 O3 109.7(4) . . ?
O1 P1 O3 108.4(3) . . ?
O4 P1 O3 108.5(4) . . ?
O2 P1 Na1 79.0(3) . 6_554 ?
O1 P1 Na1 151.5(3) . 6_554 ?
O4 P1 Na1 41.7(3) . 6_554 ?
O3 P1 Na1 91.9(3) . 6_554 ?
O2 P1 Na1 128.1(3) . 1_554 ?
O1 P1 Na1 116.4(4) . 1_554 ?
O4 P1 Na1 73.3(3) . 1_554 ?
O3 P1 Na1 35.8(3) . 1_554 ?
Na1 P1 Na1 69.4(2) 6_554 1_554 ?
O2 P1 Cs1 60.9(2) . 1_556 ?
O1 P1 Cs1 59.8(3) . 1_556 ?
O4 P1 Cs1 155.4(3) . 1_556 ?
O3 P1 Cs1 96.1(2) . 1_556 ?
Na1 P1 Cs1 139.5(2) 6_554 1_556 ?
Na1 P1 Cs1 131.18(12) 1_554 1_556 ?
O2 P1 Cs1 137.9(2) . . ?
O1 P1 Cs1 44.0(3) . . ?
O4 P1 Cs1 112.7(3) . . ?
O3 P1 Cs1 66.3(2) . . ?
Na1 P1 Cs1 140.8(2) 6_554 . ?
Na1 P1 Cs1 74.67(17) 1_554 . ?
Cs1 P1 Cs1 77.49(3) 1_556 . ?
P1 O1 Zn1 133.4(4) . 4_665 ?
P1 O1 Cs1 116.0(3) . . ?
Zn1 O1 Cs1 106.7(2) 4_665 . ?
P1 O1 Cs1 97.6(3) . 1_556 ?
Zn1 O1 Cs1 93.0(2) 4_665 1_556 ?
Cs1 O1 Cs1 99.07(15) . 1_556 ?
P1 O2 Zn1 120.8(3) . 1_556 ?
P1 O2 Li1 126.1(4) . . ?
Zn1 O2 Li1 98.8(3) 1_556 . ?
P1 O2 Cs1 96.5(3) . 1_556 ?
Zn1 O2 Cs1 112.6(2) 1_556 1_556 ?
Li1 O2 Cs1 100.3(3) . 1_556 ?
P1 O3 Zn1 128.6(4) . 5 ?
P1 O3 Na1 120.4(4) . 1_554 ?
Zn1 O3 Na1 110.8(3) 5 1_554 ?
P1 O3 Cs1 91.2(3) . . ?
Zn1 O3 Cs1 87.63(19) 5 . ?
Na1 O3 Cs1 95.1(3) 1_554 . ?
P1 O4 Zn1 121.7(4) . . ?
P1 O4 Na1 111.8(4) . 6_554 ?
Zn1 O4 Na1 114.1(4) . 6_554 ?
P1 O4 Cs1 129.2(3) . 4_665 ?
Zn1 O4 Cs1 82.76(17) . 4_665 ?
Na1 O4 Cs1 92.1(3) 6_554 4_665 ?
F1 Si1 F1 81.6(9) 2_545 1_455 ?
F1 Si1 F1 81.6(9) 2_545 3_665 ?
F1 Si1 F1 81.6(9) 1_455 3_665 ?
F1 Si1 F1 177.1(10) 2_545 5_565 ?
F1 Si1 F1 100.6(3) 1_455 5_565 ?
F1 Si1 F1 100.6(3) 3_665 5_565 ?
F1 Si1 F1 100.6(3) 2_545 4_655 ?
F1 Si1 F1 177.1(10) 1_455 4_655 ?
F1 Si1 F1 100.6(3) 3_665 4_655 ?
F1 Si1 F1 77.2(8) 5_565 4_655 ?
F1 Si1 F1 100.6(3) 2_545 6_445 ?
F1 Si1 F1 100.6(3) 1_455 6_445 ?
F1 Si1 F1 177.1(10) 3_665 6_445 ?
F1 Si1 F1 77.2(8) 5_565 6_445 ?
F1 Si1 F1 77.2(8) 4_655 6_445 ?
F1 Si1 Si1 131.0(6) 2_545 4 ?
F1 Si1 Si1 131.0(6) 1_455 4 ?
F1 Si1 Si1 131.0(6) 3_665 4 ?
F1 Si1 Si1 46.1(5) 5_565 4 ?
F1 Si1 Si1 46.1(5) 4_655 4 ?
F1 Si1 Si1 46.1(5) 6_445 4 ?
F1 Si1 Si1 49.0(6) 2_545 4_554 ?
F1 Si1 Si1 49.0(6) 1_455 4_554 ?
F1 Si1 Si1 49.0(6) 3_665 4_554 ?
F1 Si1 Si1 133.9(5) 5_565 4_554 ?
F1 Si1 Si1 133.9(5) 4_655 4_554 ?
F1 Si1 Si1 133.9(5) 6_445 4_554 ?
Si1 Si1 Si1 180.0 4 4_554 ?
F1 Si1 Na1 96.5(6) 2_545 1_554 ?
F1 Si1 Na1 127.3(7) 1_455 1_554 ?
F1 Si1 Na1 46.5(5) 3_665 1_554 ?
F1 Si1 Na1 83.7(5) 5_565 1_554 ?
F1 Si1 Na1 54.5(5) 4_655 1_554 ?
F1 Si1 Na1 131.0(7) 6_445 1_554 ?
Si1 Si1 Na1 89.1(4) 4 1_554 ?
Si1 Si1 Na1 90.9(4) 4_554 1_554 ?
F1 Si1 Na1 46.5(5) 2_545 3_554 ?
F1 Si1 Na1 96.5(6) 1_455 3_554 ?
F1 Si1 Na1 127.3(7) 3_665 3_554 ?
F1 Si1 Na1 131.0(7) 5_565 3_554 ?
F1 Si1 Na1 83.7(5) 4_655 3_554 ?
F1 Si1 Na1 54.5(5) 6_445 3_554 ?
Si1 Si1 Na1 89.1(4) 4 3_554 ?
Si1 Si1 Na1 90.9(4) 4_554 3_554 ?
Na1 Si1 Na1 119.97(2) 1_554 3_554 ?
F1 Si1 Na1 127.3(7) 2_545 2_554 ?
F1 Si1 Na1 46.5(5) 1_455 2_554 ?
F1 Si1 Na1 96.5(6) 3_665 2_554 ?
F1 Si1 Na1 54.5(5) 5_565 2_554 ?
F1 Si1 Na1 131.0(7) 4_655 2_554 ?
F1 Si1 Na1 83.7(5) 6_445 2_554 ?
Si1 Si1 Na1 89.1(4) 4 2_554 ?
Si1 Si1 Na1 90.9(4) 4_554 2_554 ?
Na1 Si1 Na1 119.97(2) 1_554 2_554 ?
Na1 Si1 Na1 119.97(2) 3_554 2_554 ?
F1 Li1 O3 158.0(6) 3_666 1_556 ?
F1 Li1 F1 84.4(5) 3_666 4_656 ?
O3 Li1 F1 90.2(5) 1_556 4_656 ?
F1 Li1 O2 90.4(5) 3_666 . ?
O3 Li1 O2 88.6(4) 1_556 . ?
F1 Li1 O2 163.2(5) 4_656 . ?
F1 Li1 O4 114.4(6) 3_666 5 ?
O3 Li1 O4 87.6(3) 1_556 5 ?
F1 Li1 O4 106.4(4) 4_656 5 ?
O2 Li1 O4 90.3(4) . 5 ?
F1 Li1 Si1 41.4(5) 3_666 1_556 ?
O3 Li1 Si1 127.6(6) 1_556 1_556 ?
F1 Li1 Si1 43.4(5) 4_656 1_556 ?
O2 Li1 Si1 128.0(4) . 1_556 ?
O4 Li1 Si1 122.5(3) 5 1_556 ?
F1 Li1 Zn1 88.0(4) 3_666 1_556 ?
O3 Li1 Zn1 78.1(3) 1_556 1_556 ?
F1 Li1 Zn1 126.5(4) 4_656 1_556 ?
O2 Li1 Zn1 37.05(18) . 1_556 ?
O4 Li1 Zn1 124.7(4) 5 1_556 ?
Si1 Li1 Zn1 107.8(2) 1_556 1_556 ?
F1 Li1 Na1 58.2(4) 3_666 5_554 ?
O3 Li1 Na1 142.2(3) 1_556 5_554 ?
F1 Li1 Na1 82.6(4) 4_656 5_554 ?
O2 Li1 Na1 108.2(3) . 5_554 ?
O4 Li1 Na1 59.6(3) 5 5_554 ?
Si1 Li1 Na1 67.7(3) 1_556 5_554 ?
Zn1 Li1 Na1 134.73(19) 1_556 5_554 ?
F1 Li1 Na1 108.2(4) 3_666 5 ?
O3 Li1 Na1 73.0(2) 1_556 5 ?
F1 Li1 Na1 27.0(3) 4_656 5 ?
O2 Li1 Na1 161.1(3) . 5 ?
O4 Li1 Na1 84.8(3) 5 5 ?
Si1 Li1 Na1 69.0(3) 1_556 5 ?
Zn1 Li1 Na1 137.56(19) 1_556 5 ?
Na1 Li1 Na1 84.95(17) 5_554 5 ?
F1 Li1 Na1 88.9(5) 3_666 6 ?
O3 Li1 Na1 69.5(2) 1_556 6 ?
F1 Li1 Na1 65.5(3) 4_656 6 ?
O2 Li1 Na1 98.5(3) . 6 ?
O4 Li1 Na1 155.1(3) 5 6 ?
Si1 Li1 Na1 69.0(3) 1_556 6 ?
Zn1 Li1 Na1 61.5(2) 1_556 6 ?
Na1 Li1 Na1 136.72(6) 5_554 6 ?
Na1 Li1 Na1 79.40(13) 5 6 ?
F1 Li1 Na1 30.9(4) 3_666 6_554 ?
O3 Li1 Na1 137.1(3) 1_556 6_554 ?
F1 Li1 Na1 110.4(4) 4_656 6_554 ?
O2 Li1 Na1 60.9(3) . 6_554 ?
O4 Li1 Na1 119.4(3) 5 6_554 ?
Si1 Li1 Na1 67.7(3) 1_556 6_554 ?
Zn1 Li1 Na1 59.2(2) 1_556 6_554 ?
Na1 Li1 Na1 79.40(13) 5_554 6_554 ?
Na1 Li1 Na1 136.72(6) 5 6_554 ?
Na1 Li1 Na1 84.95(17) 6 6_554 ?
F1 Li1 Cs1 135.7(5) 3_666 1_556 ?
O3 Li1 Cs1 55.1(2) 1_556 1_556 ?
F1 Li1 Cs1 139.4(5) 4_656 1_556 ?
O2 Li1 Cs1 49.6(2) . 1_556 ?
O4 Li1 Cs1 57.3(2) 5 1_556 ?
Si1 Li1 Cs1 177.1(5) 1_556 1_556 ?
Zn1 Li1 Cs1 71.17(15) 1_556 1_556 ?
Na1 Li1 Cs1 110.95(17) 5_554 1_556 ?
Na1 Li1 Cs1 113.58(16) 5 1_556 ?
Na1 Li1 Cs1 112.31(17) 6 1_556 ?
Na1 Li1 Cs1 109.70(16) 6_554 1_556 ?
Si1 F1 Si1 84.9(4) 1_655 4_654 ?
Si1 F1 Na1 92.0(8) 1_655 2_654 ?
Si1 F1 Na1 148.7(8) 4_654 2_654 ?
Si1 F1 Na1 129.5(7) 1_655 4_653 ?
Si1 F1 Na1 82.1(7) 4_654 4_653 ?
Na1 F1 Na1 122.1(5) 2_654 4_653 ?

_refine_diff_density_max         1.740
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.189



