# Supplementary Information (SI) for Materials Advances.
# 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. 
# 
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data_mo_20231011_WY_TI1_0m
_database_code_depnum_ccdc_archive 'CCDC 2304836'
loop_
_audit_author_name
_audit_author_address
'Changcheng Tang'
;University of Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-10-31 deposited with the CCDC.	2024-11-11 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V118 by Daniel Kratzert, Freiburg 2023,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'F6 Na2 Si'
_chemical_formula_moiety         ?
_chemical_formula_weight         188.07
_chemical_melting_point          ?
_chemical_absolute_configuration ad
_space_group_crystal_system      trigonal
_space_group_IT_number           150
_space_group_name_H-M_alt        'P 3 2 1'
_space_group_name_Hall           'P 3 2"'
_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'
'y, x, -z'
'-x, -x+y, -z'
'x-y, -y, -z'

_cell_length_a                   8.8384(2)
_cell_length_b                   8.8384(2)
_cell_length_c                   5.0117(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     339.05(2)
_cell_formula_units_Z            3
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    3658
_cell_measurement_theta_min      4.6125
_cell_measurement_theta_max      28.111
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.763
_exptl_crystal_F_000             270
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.223
_exptl_absorpt_correction_T_max  0.2625
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      150(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_measurement_ambient_temperature_device_make 'Oxford Cryostream 800'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.39
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            4306
_diffrn_reflns_av_unetI/netI     0.0224
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_theta_min         2.661
_diffrn_reflns_theta_max         28.111
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_limit_l_max       6
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             566
_reflns_number_gt                565
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.685
_reflns_Friedel_fraction_max     0.996
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       
'Bruker BIS 8.5.0.27 Release/2023-03-20 && APEX5 2022.8-RC126'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0404P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_reflns         566
_refine_ls_number_parameters     45
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0213
_refine_ls_wR_factor_ref         0.0489
_refine_ls_wR_factor_gt          0.0489
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.23(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_Flack   -0.11(9)
_refine_ls_abs_structure_details 
;
 Flack x determined using 228 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'

_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_
_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
Si1 Si 0.333333 0.666667 0.9943(2) 0.0094(2) Uani 1 3 d S T P . .
F1 F 0.15483(15) 0.5972(2) 0.7993(3) 0.0139(3) Uani 1 1 d . . . . .
F4 F 0.2606(2) 0.7731(2) 1.1882(4) 0.0149(3) Uani 1 1 d . . . . .
Si3 Si 0.000000 1.000000 0.500000 0.0082(3) Uani 1 6 d S T P . .
F5 F 0.0949(3) 0.9151(3) 0.6913(3) 0.0181(3) Uani 1 1 d . . . . .
Na1 Na 0.000000 0.71224(13) 1.000000 0.0131(3) Uani 1 2 d S T P . .
Na2 Na 0.000000 0.37756(15) 0.500000 0.0135(3) Uani 1 2 d S T P . .


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
Si1 F4 1.6877(17) . ?
Si1 F4 1.6877(17) 3_565 ?
Si1 F4 1.6877(17) 2_665 ?
Si1 F1 1.6888(13) 3_565 ?
Si1 F1 1.6888(13) 2_665 ?
Si1 F1 1.6888(13) . ?
Si1 Na1 3.1669(7) . ?
Si1 Na1 3.1669(7) 3_565 ?
Si1 Na1 3.1669(7) 2_665 ?
F1 Na2 2.2879(14) . ?
F1 Na1 2.3045(17) . ?
F4 Na1 2.2900(16) . ?
F4 Na2 2.3363(17) 3_566 ?
Si3 F5 1.6780(14) . ?
Si3 F5 1.6780(14) 5_556 ?
Si3 F5 1.6780(14) 2_675 ?
Si3 F5 1.6780(14) 4_466 ?
Si3 F5 1.6780(14) 3_465 ?
Si3 F5 1.6780(14) 6_676 ?
Si3 Na2 3.3370(14) 2_565 ?
Si3 Na2 3.3370(14) 3_565 ?
Si3 Na2 3.3370(14) 1_565 ?
F5 Na1 2.1928(19) . ?
F5 Na2 2.418(2) 3_565 ?
Na1 Na2 3.8768(13) . ?
Na1 Na2 3.8768(13) 1_556 ?
Na1 Na2 3.9238(8) 3_566 ?
Na1 Na2 3.9238(8) 2_565 ?

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
F4 Si1 F4 90.16(9) . 3_565 ?
F4 Si1 F4 90.16(9) . 2_665 ?
F4 Si1 F4 90.16(9) 3_565 2_665 ?
F4 Si1 F1 90.61(8) . 3_565 ?
F4 Si1 F1 89.36(8) 3_565 3_565 ?
F4 Si1 F1 179.10(9) 2_665 3_565 ?
F4 Si1 F1 179.10(9) . 2_665 ?
F4 Si1 F1 90.61(8) 3_565 2_665 ?
F4 Si1 F1 89.36(8) 2_665 2_665 ?
F1 Si1 F1 89.88(7) 3_565 2_665 ?
F4 Si1 F1 89.36(8) . . ?
F4 Si1 F1 179.10(9) 3_565 . ?
F4 Si1 F1 90.61(8) 2_665 . ?
F1 Si1 F1 89.88(7) 3_565 . ?
F1 Si1 F1 89.88(7) 2_665 . ?
F4 Si1 Na1 44.43(6) . . ?
F4 Si1 Na1 134.59(7) 3_565 . ?
F4 Si1 Na1 89.80(6) 2_665 . ?
F1 Si1 Na1 91.07(6) 3_565 . ?
F1 Si1 Na1 134.80(6) 2_665 . ?
F1 Si1 Na1 44.95(5) . . ?
F4 Si1 Na1 89.81(6) . 3_565 ?
F4 Si1 Na1 44.43(6) 3_565 3_565 ?
F4 Si1 Na1 134.59(7) 2_665 3_565 ?
F1 Si1 Na1 44.94(5) 3_565 3_565 ?
F1 Si1 Na1 91.07(6) 2_665 3_565 ?
F1 Si1 Na1 134.80(6) . 3_565 ?
Na1 Si1 Na1 119.992(1) . 3_565 ?
F4 Si1 Na1 134.59(7) . 2_665 ?
F4 Si1 Na1 89.80(6) 3_565 2_665 ?
F4 Si1 Na1 44.43(6) 2_665 2_665 ?
F1 Si1 Na1 134.80(6) 3_565 2_665 ?
F1 Si1 Na1 44.94(5) 2_665 2_665 ?
F1 Si1 Na1 91.07(6) . 2_665 ?
Na1 Si1 Na1 119.992(1) . 2_665 ?
Na1 Si1 Na1 119.992(1) 3_565 2_665 ?
Si1 F1 Na2 137.88(9) . . ?
Si1 F1 Na1 103.88(7) . . ?
Na2 F1 Na1 115.17(5) . . ?
Si1 F4 Na1 104.52(8) . . ?
Si1 F4 Na2 137.32(9) . 3_566 ?
Na1 F4 Na2 116.02(7) . 3_566 ?
F5 Si3 F5 91.60(14) . 5_556 ?
F5 Si3 F5 90.59(8) . 2_675 ?
F5 Si3 F5 176.96(15) 5_556 2_675 ?
F5 Si3 F5 176.96(16) . 4_466 ?
F5 Si3 F5 90.60(8) 5_556 4_466 ?
F5 Si3 F5 87.29(13) 2_675 4_466 ?
F5 Si3 F5 90.60(8) . 3_465 ?
F5 Si3 F5 87.29(13) 5_556 3_465 ?
F5 Si3 F5 90.60(8) 2_675 3_465 ?
F5 Si3 F5 91.60(14) 4_466 3_465 ?
F5 Si3 F5 87.29(13) . 6_676 ?
F5 Si3 F5 90.60(8) 5_556 6_676 ?
F5 Si3 F5 91.60(14) 2_675 6_676 ?
F5 Si3 F5 90.60(8) 4_466 6_676 ?
F5 Si3 F5 176.96(15) 3_465 6_676 ?
F5 Si3 Na2 91.52(8) . 2_565 ?
F5 Si3 Na2 43.64(6) 5_556 2_565 ?
F5 Si3 Na2 134.20(7) 2_675 2_565 ?
F5 Si3 Na2 91.52(8) 4_466 2_565 ?
F5 Si3 Na2 43.64(6) 3_465 2_565 ?
F5 Si3 Na2 134.20(7) 6_676 2_565 ?
F5 Si3 Na2 43.64(6) . 3_565 ?
F5 Si3 Na2 91.52(8) 5_556 3_565 ?
F5 Si3 Na2 91.52(8) 2_675 3_565 ?
F5 Si3 Na2 134.20(7) 4_466 3_565 ?
F5 Si3 Na2 134.20(7) 3_465 3_565 ?
F5 Si3 Na2 43.64(6) 6_676 3_565 ?
Na2 Si3 Na2 120.0 2_565 3_565 ?
F5 Si3 Na2 134.20(7) . 1_565 ?
F5 Si3 Na2 134.20(7) 5_556 1_565 ?
F5 Si3 Na2 43.64(6) 2_675 1_565 ?
F5 Si3 Na2 43.64(6) 4_466 1_565 ?
F5 Si3 Na2 91.52(8) 3_465 1_565 ?
F5 Si3 Na2 91.52(8) 6_676 1_565 ?
Na2 Si3 Na2 120.0 2_565 1_565 ?
Na2 Si3 Na2 120.0 3_565 1_565 ?
Si3 F5 Na1 134.13(11) . . ?
Si3 F5 Na2 107.74(9) . 3_565 ?
Na1 F5 Na2 116.55(6) . 3_565 ?
F5 Na1 F5 102.43(9) 5_557 . ?
F5 Na1 F4 99.54(8) 5_557 . ?
F5 Na1 F4 99.77(8) . . ?
F5 Na1 F4 99.77(8) 5_557 5_557 ?
F5 Na1 F4 99.55(8) . 5_557 ?
F4 Na1 F4 148.93(10) . 5_557 ?
F5 Na1 F1 89.09(6) 5_557 5_557 ?
F5 Na1 F1 160.18(6) . 5_557 ?
F4 Na1 F1 94.04(7) . 5_557 ?
F4 Na1 F1 62.23(5) 5_557 5_557 ?
F5 Na1 F1 160.18(6) 5_557 . ?
F5 Na1 F1 89.09(6) . . ?
F4 Na1 F1 62.23(5) . . ?
F4 Na1 F1 94.04(7) 5_557 . ?
F1 Na1 F1 84.82(9) 5_557 . ?
F5 Na1 Si1 95.60(4) 5_557 4_457 ?
F5 Na1 Si1 130.12(6) . 4_457 ?
F4 Na1 Si1 122.64(6) . 4_457 ?
F4 Na1 Si1 31.06(4) 5_557 4_457 ?
F1 Na1 Si1 31.18(3) 5_557 4_457 ?
F1 Na1 Si1 88.91(5) . 4_457 ?
F5 Na1 Si1 130.12(6) 5_557 . ?
F5 Na1 Si1 95.61(4) . . ?
F4 Na1 Si1 31.06(4) . . ?
F4 Na1 Si1 122.64(6) 5_557 . ?
F1 Na1 Si1 88.91(5) 5_557 . ?
F1 Na1 Si1 31.18(3) . . ?
Si1 Na1 Si1 107.36(3) 4_457 . ?
F5 Na1 Na2 159.07(5) 5_557 . ?
F5 Na1 Na2 91.25(5) . . ?
F4 Na1 Na2 93.55(5) . . ?
F4 Na1 Na2 61.93(5) 5_557 . ?
F1 Na1 Na2 73.66(5) 5_557 . ?
F1 Na1 Na2 32.28(3) . . ?
Si1 Na1 Na2 63.50(2) 4_457 . ?
Si1 Na1 Na2 62.76(2) . . ?
F5 Na1 Na2 91.25(5) 5_557 1_556 ?
F5 Na1 Na2 159.07(4) . 1_556 ?
F4 Na1 Na2 61.93(5) . 1_556 ?
F4 Na1 Na2 93.55(5) 5_557 1_556 ?
F1 Na1 Na2 32.28(3) 5_557 1_556 ?
F1 Na1 Na2 73.66(5) . 1_556 ?
Si1 Na1 Na2 62.76(2) 4_457 1_556 ?
Si1 Na1 Na2 63.50(2) . 1_556 ?
Na2 Na1 Na2 80.54(3) . 1_556 ?
F5 Na1 Na2 69.75(6) 5_557 3_566 ?
F5 Na1 Na2 93.83(6) . 3_566 ?
F4 Na1 Na2 32.35(4) . 3_566 ?
F4 Na1 Na2 164.63(5) 5_557 3_566 ?
F1 Na1 Na2 105.35(3) 5_557 3_566 ?
F1 Na1 Na2 93.70(4) . 3_566 ?
Si1 Na1 Na2 136.03(3) 4_457 3_566 ?
Si1 Na1 Na2 62.90(2) . 3_566 ?
Na2 Na1 Na2 125.66(2) . 3_566 ?
Na2 Na1 Na2 75.956(16) 1_556 3_566 ?
F5 Na1 Na2 93.83(6) 5_557 2_565 ?
F5 Na1 Na2 69.75(6) . 2_565 ?
F4 Na1 Na2 164.63(5) . 2_565 ?
F4 Na1 Na2 32.35(4) 5_557 2_565 ?
F1 Na1 Na2 93.70(4) 5_557 2_565 ?
F1 Na1 Na2 105.35(3) . 2_565 ?
Si1 Na1 Na2 62.90(2) 4_457 2_565 ?
Si1 Na1 Na2 136.03(3) . 2_565 ?
Na2 Na1 Na2 75.956(16) . 2_565 ?
Na2 Na1 Na2 125.66(2) 1_556 2_565 ?
Na2 Na1 Na2 154.23(4) 3_566 2_565 ?
F1 Na2 F1 113.37(9) . 5_556 ?
F1 Na2 F4 87.35(5) . 4_457 ?
F1 Na2 F4 93.50(5) 5_556 4_457 ?
F1 Na2 F4 93.50(5) . 2_664 ?
F1 Na2 F4 87.35(5) 5_556 2_664 ?
F4 Na2 F4 178.46(10) 4_457 2_664 ?
F1 Na2 F5 151.80(6) . 4_456 ?
F1 Na2 F5 94.76(5) 5_556 4_456 ?
F4 Na2 F5 93.08(8) 4_457 4_456 ?
F4 Na2 F5 85.57(7) 2_664 4_456 ?
F1 Na2 F5 94.76(5) . 2_665 ?
F1 Na2 F5 151.80(6) 5_556 2_665 ?
F4 Na2 F5 85.57(7) 4_457 2_665 ?
F4 Na2 F5 93.08(8) 2_664 2_665 ?
F5 Na2 F5 57.23(8) 4_456 2_665 ?
F1 Na2 Si3 123.32(4) . 1_545 ?
F1 Na2 Si3 123.32(4) 5_556 1_545 ?
F4 Na2 Si3 89.23(5) 4_457 1_545 ?
F4 Na2 Si3 89.23(5) 2_664 1_545 ?
F5 Na2 Si3 28.62(4) 4_456 1_545 ?
F5 Na2 Si3 28.62(4) 2_665 1_545 ?
F1 Na2 Na1 32.55(3) . . ?
F1 Na2 Na1 90.27(5) 5_556 . ?
F4 Na2 Na1 65.03(5) 4_457 . ?
F4 Na2 Na1 116.27(5) 2_664 . ?
F5 Na2 Na1 157.83(5) 4_456 . ?
F5 Na2 Na1 114.43(4) 2_665 . ?
Si3 Na2 Na1 139.731(17) 1_545 . ?
F1 Na2 Na1 90.27(5) . 1_554 ?
F1 Na2 Na1 32.55(3) 5_556 1_554 ?
F4 Na2 Na1 116.27(5) 4_457 1_554 ?
F4 Na2 Na1 65.03(5) 2_664 1_554 ?
F5 Na2 Na1 114.43(4) 4_456 1_554 ?
F5 Na2 Na1 157.83(5) 2_665 1_554 ?
Si3 Na2 Na1 139.731(17) 1_545 1_554 ?
Na1 Na2 Na1 80.54(3) . 1_554 ?
F1 Na2 Na1 177.03(4) . 3_454 ?
F1 Na2 Na1 65.14(4) 5_556 3_454 ?
F4 Na2 Na1 90.17(5) 4_457 3_454 ?
F4 Na2 Na1 89.02(5) 2_664 3_454 ?
F5 Na2 Na1 29.99(4) 4_456 3_454 ?
F5 Na2 Na1 86.67(5) 2_665 3_454 ?
Si3 Na2 Na1 58.24(2) 1_545 3_454 ?
Na1 Na2 Na1 144.53(2) . 3_454 ?
Na1 Na2 Na1 89.360(17) 1_554 3_454 ?
F1 Na2 Na1 65.14(4) . 2_665 ?
F1 Na2 Na1 177.03(4) 5_556 2_665 ?
F4 Na2 Na1 89.02(5) 4_457 2_665 ?
F4 Na2 Na1 90.17(5) 2_664 2_665 ?
F5 Na2 Na1 86.67(5) 4_456 2_665 ?
F5 Na2 Na1 29.99(4) 2_665 2_665 ?
Si3 Na2 Na1 58.24(2) 1_545 2_665 ?
Na1 Na2 Na1 89.360(17) . 2_665 ?
Na1 Na2 Na1 144.53(2) 1_554 2_665 ?
Na1 Na2 Na1 116.48(4) 3_454 2_665 ?
F1 Na2 Na1 99.27(4) . 3_455 ?
F1 Na2 Na1 114.65(3) 5_556 3_455 ?
F4 Na2 Na1 31.63(4) 4_457 3_455 ?
F4 Na2 Na1 146.86(6) 2_664 3_455 ?
F5 Na2 Na1 68.92(5) 4_456 3_455 ?
F5 Na2 Na1 55.64(5) 2_665 3_455 ?
Si3 Na2 Na1 58.24(2) 1_545 3_455 ?
Na1 Na2 Na1 89.360(17) . 3_455 ?
Na1 Na2 Na1 144.53(2) 1_554 3_455 ?
Na1 Na2 Na1 79.379(18) 3_454 3_455 ?
Na1 Na2 Na1 68.30(3) 2_665 3_455 ?

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
F4 Si1 F1 Na2 -158.92(12) . . . . ?
F4 Si1 F1 Na2 -68.77(13) 2_665 . . . ?
F1 Si1 F1 Na2 110.47(6) 3_565 . . . ?
F1 Si1 F1 Na2 20.59(13) 2_665 . . . ?
Na1 Si1 F1 Na2 -157.88(16) . . . . ?
Na1 Si1 F1 Na2 111.99(11) 3_565 . . . ?
Na1 Si1 F1 Na2 -24.34(11) 2_665 . . . ?
F4 Si1 F1 Na1 -1.04(9) . . . . ?
F4 Si1 F1 Na1 89.12(8) 2_665 . . . ?
F1 Si1 F1 Na1 -91.64(11) 3_565 . . . ?
F1 Si1 F1 Na1 178.48(9) 2_665 . . . ?
Na1 Si1 F1 Na1 -90.13(7) 3_565 . . . ?
Na1 Si1 F1 Na1 133.55(6) 2_665 . . . ?
F4 Si1 F4 Na1 -179.72(9) 3_565 . . . ?
F4 Si1 F4 Na1 -89.56(13) 2_665 . . . ?
F1 Si1 F4 Na1 90.92(8) 3_565 . . . ?
F1 Si1 F4 Na1 1.05(9) . . . . ?
Na1 Si1 F4 Na1 135.86(7) 3_565 . . . ?
Na1 Si1 F4 Na1 -89.83(9) 2_665 . . . ?
F4 Si1 F4 Na2 18.62(16) 3_565 . . 3_566 ?
F4 Si1 F4 Na2 108.78(7) 2_665 . . 3_566 ?
F1 Si1 F4 Na2 -70.75(15) 3_565 . . 3_566 ?
F1 Si1 F4 Na2 -160.62(14) . . . 3_566 ?
Na1 Si1 F4 Na2 -161.7(2) . . . 3_566 ?
Na1 Si1 F4 Na2 -25.81(14) 3_565 . . 3_566 ?
Na1 Si1 F4 Na2 108.50(13) 2_665 . . 3_566 ?
F5 Si3 F5 Na1 -74.10(15) 5_556 . . . ?
F5 Si3 F5 Na1 103.81(7) 2_675 . . . ?
F5 Si3 F5 Na1 13.20(14) 3_465 . . . ?
F5 Si3 F5 Na1 -164.6(2) 6_676 . . . ?
Na2 Si3 F5 Na1 -30.44(13) 2_565 . . . ?
Na2 Si3 F5 Na1 -164.6(2) 3_565 . . . ?
Na2 Si3 F5 Na1 105.90(15) 1_565 . . . ?
F5 Si3 F5 Na2 90.52(8) 5_556 . . 3_565 ?
F5 Si3 F5 Na2 -91.58(15) 2_675 . . 3_565 ?
F5 Si3 F5 Na2 177.82(11) 3_465 . . 3_565 ?
F5 Si3 F5 Na2 -0.001(0) 6_676 . . 3_565 ?
Na2 Si3 F5 Na2 134.18(7) 2_565 . . 3_565 ?
Na2 Si3 F5 Na2 -89.48(8) 1_565 . . 3_565 ?

