#------------------------------------------------------------------------------
#$Date: 2021-04-14 10:06:53 +0300 (Wed, 14 Apr 2021) $
#$Revision: 264120 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/17/1561709.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1561709
loop_
_publ_author_name
'Avdontceva, Margarita S.'
'Zolotarev, Andrey A.'
'Krivovichev, Sergey V.'
_publ_section_title
;
 Order--disorder phase transition in the antiperovskite-type structure of
 synthetic kogarkoite, Na3SO4F
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              42
_journal_page_last               46
_journal_paper_doi               10.1016/j.jssc.2015.07.033
_journal_volume                  231
_journal_year                    2015
_chemical_formula_sum            'F Na3 O4 S'
_chemical_formula_weight         184.03
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 107.711(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   18.064(3)
_cell_length_b                   6.9578(12)
_cell_length_c                   11.446(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1370.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14818
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.929
_exptl_crystal_density_diffrn    2.676
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.692
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         3399
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0722P)²+7.4670P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1639
_refine_ls_wR_factor_ref         0.1813
_reflns_number_gt                2483
_reflns_number_total             3399
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-231-42.cif
_cod_data_source_block           293
_cod_original_cell_volume        1370.5(4)
_cod_original_sg_symbol_H-M      P21/m
_cod_database_code               1561709
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Na1 Na 0.5000 0.0000 0.5000 0.0187(6) Uani 1 2 d S . .
Na2 Na 0.35081(16) 0.2500 0.3033(3) 0.0225(6) Uani 1 2 d S . .
Na3 Na 0.11769(15) 0.2500 0.8735(2) 0.0177(6) Uani 1 2 d S . .
Na4 Na 0.61616(15) 0.2500 0.3952(3) 0.0202(6) Uani 1 2 d S . .
Na5 Na 0.85296(15) 0.2500 0.8161(2) 0.0161(5) Uani 1 2 d S . .
Na6 Na 0.39279(17) 0.2500 0.9091(3) 0.0222(6) Uani 1 2 d S . .
Na7 Na 0.0000 0.0000 0.0000 0.0182(6) Uani 1 2 d S . .
Na8 Na 0.89276(15) 0.2500 0.4372(2) 0.0159(5) Uani 1 2 d S . .
Na9 Na 0.27906(10) 0.0265(3) 0.03167(17) 0.0170(4) Uani 1 1 d . . .
Na10 Na 0.46566(11) 0.0180(3) 0.19125(17) 0.0193(4) Uani 1 1 d . . .
Na11 Na 0.24526(10) 0.0009(3) 0.73489(16) 0.0194(4) Uani 1 1 d . . .
Na12 Na 0.77440(11) 0.0218(3) 0.55094(16) 0.0181(4) Uani 1 1 d . . .
Na13 Na 0.96997(10) 0.0229(3) 0.70733(16) 0.0169(4) Uani 1 1 d . . .
S1 S 0.16171(8) 0.2500 0.19332(12) 0.0093(3) Uani 1 2 d S . .
S2 S 0.59645(9) 0.2500 0.07976(14) 0.0131(3) Uani 1 2 d S . .
S3 S 0.65433(9) 0.2500 0.70102(13) 0.0104(3) Uani 1 2 d S . .
S4 S 0.08557(9) 0.2500 0.54474(13) 0.0107(3) Uani 1 2 d S . .
S5 S 0.37501(8) 0.2500 0.61391(13) 0.0104(3) Uani 1 2 d S . .
S6 S 0.87029(8) 0.2500 0.12016(12) 0.0087(3) Uani 1 2 d S . .
O1 O 0.11272(19) 0.0778(5) 0.1799(3) 0.0208(7) Uani 1 1 d . . .
O2 O 0.6457(2) 0.0769(5) 0.0927(3) 0.0240(8) Uani 1 1 d . . .
O3 O 0.6533(2) 0.0769(5) 0.7745(3) 0.0249(8) Uani 1 1 d . . .
O4 O 0.1337(2) 0.0769(5) 0.5536(3) 0.0208(7) Uani 1 1 d . . .
O5 O 0.2012(3) 0.2500 0.0991(4) 0.0194(10) Uani 1 2 d S . .
O6 O 0.5597(3) 0.2500 0.1782(4) 0.0232(11) Uani 1 2 d S . .
O7 O 0.7240(3) 0.2500 0.6624(5) 0.0275(12) Uani 1 2 d S . .
O8 O 0.0483(3) 0.2500 0.6415(4) 0.0218(11) Uani 1 2 d S . .
O9 O 0.2198(3) 0.2500 0.3164(4) 0.0232(11) Uani 1 2 d S . .
O10 O 0.5365(3) 0.2500 0.9602(5) 0.0284(12) Uani 1 2 d S . .
O11 O 0.5842(3) 0.2500 0.5948(5) 0.0323(13) Uani 1 2 d S . .
O12 O 0.0246(3) 0.2500 0.4234(4) 0.0242(11) Uani 1 2 d S . .
O13 O 0.9179(2) 0.0775(5) 0.1280(3) 0.0284(8) Uani 1 1 d . . .
O14 O 0.8082(3) 0.2500 -0.0002(4) 0.0212(10) Uani 1 2 d S . .
O15 O 0.8340(3) 0.2500 0.2189(5) 0.0273(12) Uani 1 2 d S . .
O16 O 0.3746(2) 0.0792(6) 0.5376(3) 0.0321(9) Uani 1 1 d . . .
O17 O 0.4424(4) 0.2500 0.7213(6) 0.0469(17) Uani 1 2 d S . .
O18 O 0.3045(4) 0.2500 0.6503(7) 0.0509(19) Uani 1 2 d S . .
F1 F 0.4806(2) 0.2500 0.3576(3) 0.0196(8) Uani 1 2 d S . .
F2 F 0.3778(2) 0.2500 0.0961(4) 0.0199(8) Uani 1 2 d S . .
F3 F 0.2394(2) 0.2500 0.8644(3) 0.0186(8) Uani 1 2 d S . .
F4 F 0.9909(2) 0.2500 0.8755(3) 0.0162(8) Uani 1 2 d S . .
F5 F 0.7438(2) 0.2500 0.3933(3) 0.0182(8) Uani 1 2 d S . .
F6 F 0.8754(2) 0.2500 0.6270(3) 0.0168(8) Uani 1 2 d S . .
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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
F1 Na1 F1 180.0 3_656 .
F1 Na1 O11 73.08(13) 3_656 3_656
F1 Na1 O11 106.92(13) . 3_656
F1 Na1 O11 106.92(13) 3_656 .
F1 Na1 O11 73.08(13) . .
O11 Na1 O11 180.0 3_656 .
F1 Na1 O16 89.73(13) 3_656 .
F1 Na1 O16 90.27(13) . .
O11 Na1 O16 75.43(16) 3_656 .
O11 Na1 O16 104.57(16) . .
F1 Na1 O16 90.27(13) 3_656 3_656
F1 Na1 O16 89.73(13) . 3_656
O11 Na1 O16 104.57(16) 3_656 3_656
O11 Na1 O16 75.43(16) . 3_656
O16 Na1 O16 180.0 . 3_656
F1 Na1 Na4 133.23(10) 3_656 .
F1 Na1 Na4 46.77(10) . .
O11 Na1 Na4 129.13(14) 3_656 .
O11 Na1 Na4 50.87(14) . .
O16 Na1 Na4 132.32(10) . .
O16 Na1 Na4 47.68(10) 3_656 .
F1 Na1 Na4 46.77(10) 3_656 3_656
F1 Na1 Na4 133.23(10) . 3_656
O11 Na1 Na4 50.87(14) 3_656 3_656
O11 Na1 Na4 129.13(14) . 3_656
O16 Na1 Na4 47.68(10) . 3_656
O16 Na1 Na4 132.32(10) 3_656 3_656
Na4 Na1 Na4 180.00(6) . 3_656
F1 Na1 Na10 46.06(7) 3_656 3_656
F1 Na1 Na10 133.94(7) . 3_656
O11 Na1 Na10 109.92(13) 3_656 3_656
O11 Na1 Na10 70.08(13) . 3_656
O16 Na1 Na10 73.54(9) . 3_656
O16 Na1 Na10 106.46(9) 3_656 3_656
Na4 Na1 Na10 118.23(6) . 3_656
Na4 Na1 Na10 61.77(6) 3_656 3_656
F1 Na1 Na10 133.94(7) 3_656 .
F1 Na1 Na10 46.06(7) . .
O11 Na1 Na10 70.08(13) 3_656 .
O11 Na1 Na10 109.92(13) . .
O16 Na1 Na10 106.46(9) . .
O16 Na1 Na10 73.54(9) 3_656 .
Na4 Na1 Na10 61.77(6) . .
Na4 Na1 Na10 118.23(6) 3_656 .
Na10 Na1 Na10 180.0 3_656 .
F1 Na1 Na2 40.56(10) 3_656 3_656
F1 Na1 Na2 139.44(10) . 3_656
O11 Na1 Na2 101.40(10) 3_656 3_656
O11 Na1 Na2 78.60(10) . 3_656
O16 Na1 Na2 125.10(10) . 3_656
O16 Na1 Na2 54.90(10) 3_656 3_656
Na4 Na1 Na2 92.74(6) . 3_656
Na4 Na1 Na2 87.26(6) 3_656 3_656
Na10 Na1 Na2 55.81(5) 3_656 3_656
Na10 Na1 Na2 124.19(5) . 3_656
F1 Na1 Na2 139.44(10) 3_656 .
F1 Na1 Na2 40.56(10) . .
O11 Na1 Na2 78.60(10) 3_656 .
O11 Na1 Na2 101.40(10) . .
O16 Na1 Na2 54.90(10) . .
O16 Na1 Na2 125.10(10) 3_656 .
Na4 Na1 Na2 87.26(6) . .
Na4 Na1 Na2 92.74(6) 3_656 .
Na10 Na1 Na2 124.19(5) 3_656 .
Na10 Na1 Na2 55.81(5) . .
Na2 Na1 Na2 180.0 3_656 .
F1 Na2 O9 161.2(2) . .
F1 Na2 O3 90.84(11) . 3_656
O9 Na2 O3 95.80(11) . 3_656
F1 Na2 O3 90.84(11) . 2_656
O9 Na2 O3 95.80(11) . 2_656
O3 Na2 O3 138.11(19) 3_656 2_656
F1 Na2 F2 77.24(15) . .
O9 Na2 F2 121.53(18) . .
O3 Na2 F2 69.81(10) 3_656 .
O3 Na2 F2 69.81(10) 2_656 .
F1 Na2 O16 83.83(15) . 4_565
O9 Na2 O16 79.13(14) . 4_565
O3 Na2 O16 135.56(14) 3_656 4_565
O3 Na2 O16 86.19(11) 2_656 4_565
F2 Na2 O16 148.88(12) . 4_565
F1 Na2 O16 83.83(15) . .
O9 Na2 O16 79.13(14) . .
O3 Na2 O16 86.19(11) 3_656 .
O3 Na2 O16 135.56(14) 2_656 .
F2 Na2 O16 148.88(11) . .
O16 Na2 O16 49.40(16) 4_565 .
F1 Na2 O5 147.19(17) . .
O9 Na2 O5 51.58(15) . .
O3 Na2 O5 78.12(11) 3_656 .
O3 Na2 O5 78.12(11) 2_656 .
F2 Na2 O5 69.95(14) . .
O16 Na2 O5 125.39(14) 4_565 .
O16 Na2 O5 125.39(14) . .
F1 Na2 Na10 49.94(9) . 4_565
O9 Na2 Na10 142.57(10) . 4_565
O3 Na2 Na10 106.08(12) 3_656 4_565
O3 Na2 Na10 48.06(9) 2_656 4_565
F2 Na2 Na10 45.40(8) . 4_565
O16 Na2 Na10 103.73(10) 4_565 4_565
O16 Na2 Na10 131.32(13) . 4_565
O5 Na2 Na10 103.29(11) . 4_565
F1 Na2 Na10 49.94(9) . .
O9 Na2 Na10 142.57(10) . .
O3 Na2 Na10 48.06(9) 3_656 .
O3 Na2 Na10 106.08(12) 2_656 .
F2 Na2 Na10 45.40(8) . .
O16 Na2 Na10 131.32(13) 4_565 .
O16 Na2 Na10 103.73(10) . .
O5 Na2 Na10 103.29(11) . .
Na10 Na2 Na10 60.81(8) 4_565 .
F1 Na2 S1 173.81(16) . .
O9 Na2 S1 24.96(11) . .
O3 Na2 S1 86.96(11) 3_656 .
O3 Na2 S1 86.96(11) 2_656 .
F2 Na2 S1 96.57(13) . .
O16 Na2 S1 101.78(11) 4_565 .
O16 Na2 S1 101.78(11) . .
O5 Na2 S1 26.62(9) . .
Na10 Na2 S1 125.30(9) 4_565 .
Na10 Na2 S1 125.30(9) . .
F1 Na2 Na9 109.51(12) . .
O9 Na2 Na9 87.02(13) . .
O3 Na2 Na9 43.11(9) 3_656 .
O3 Na2 Na9 97.68(12) 2_656 .
F2 Na2 Na9 43.34(8) . .
O16 Na2 Na9 165.95(13) 4_565 .
O16 Na2 Na9 125.71(9) . .
O5 Na2 Na9 43.47(8) . .
Na10 Na2 Na9 88.70(8) 4_565 .
Na10 Na2 Na9 60.61(6) . .
S1 Na2 Na9 65.13(6) . .
F3 Na3 F4 178.02(18) . 1_455
F3 Na3 O13 105.61(10) . 3_656
F4 Na3 O13 74.36(10) 1_455 3_656
F3 Na3 O13 105.61(10) . 2_656
F4 Na3 O13 74.36(10) 1_455 2_656
O13 Na3 O13 148.7(2) 3_656 2_656
F3 Na3 O5 76.15(16) . 1_556
F4 Na3 O5 105.83(16) 1_455 1_556
O13 Na3 O5 94.73(11) 3_656 1_556
O13 Na3 O5 94.73(11) 2_656 1_556
F3 Na3 O8 97.44(16) . .
F4 Na3 O8 80.58(16) 1_455 .
O13 Na3 O8 86.94(11) 3_656 .
O13 Na3 O8 86.94(11) 2_656 .
O5 Na3 O8 173.59(17) 1_556 .
F3 Na3 Na13 129.07(11) . 1_455
F4 Na3 Na13 49.42(9) 1_455 1_455
O13 Na3 Na13 48.82(10) 3_656 1_455
O13 Na3 Na13 107.28(13) 2_656 1_455
O5 Na3 Na13 136.95(10) 1_556 1_455
O8 Na3 Na13 47.64(9) . 1_455
F3 Na3 Na13 129.07(11) . 4_465
F4 Na3 Na13 49.42(9) 1_455 4_465
O13 Na3 Na13 107.28(13) 3_656 4_465
O13 Na3 Na13 48.82(10) 2_656 4_465
O5 Na3 Na13 136.95(10) 1_556 4_465
O8 Na3 Na13 47.64(9) . 4_465
Na13 Na3 Na13 59.48(8) 1_455 4_465
F3 Na3 Na9 46.39(9) . 4_566
F4 Na3 Na9 135.10(11) 1_455 4_566
O13 Na3 Na9 130.37(13) 3_656 4_566
O13 Na3 Na9 75.17(10) 2_656 4_566
O5 Na3 Na9 45.53(9) 1_556 4_566
O8 Na3 Na9 129.51(11) . 4_566
Na13 Na3 Na9 175.44(9) 1_455 4_566
Na13 Na3 Na9 122.09(5) 4_465 4_566
F3 Na3 Na9 46.39(9) . 1_556
F4 Na3 Na9 135.10(11) 1_455 1_556
O13 Na3 Na9 75.17(10) 3_656 1_556
O13 Na3 Na9 130.37(13) 2_656 1_556
O5 Na3 Na9 45.53(9) 1_556 1_556
O8 Na3 Na9 129.51(11) . 1_556
Na13 Na3 Na9 122.09(5) 1_455 1_556
Na13 Na3 Na9 175.44(9) 4_465 1_556
Na9 Na3 Na9 55.97(8) 4_566 1_556
F3 Na3 Na7 140.67(9) . 1_556
F4 Na3 Na7 40.52(6) 1_455 1_556
O13 Na3 Na7 45.99(9) 3_656 1_556
O13 Na3 Na7 107.00(12) 2_656 1_556
O5 Na3 Na7 79.83(10) 1_556 1_556
O8 Na3 Na7 105.62(11) . 1_556
Na13 Na3 Na7 58.72(5) 1_455 1_556
Na13 Na3 Na7 89.38(7) 4_465 1_556
Na9 Na3 Na7 124.65(8) 4_566 1_556
Na9 Na3 Na7 95.02(6) 1_556 1_556
F3 Na3 Na7 140.67(9) . 2_556
F4 Na3 Na7 40.52(6) 1_455 2_556
O13 Na3 Na7 107.00(11) 3_656 2_556
O13 Na3 Na7 45.99(9) 2_656 2_556
O5 Na3 Na7 79.83(10) 1_556 2_556
O8 Na3 Na7 105.62(11) . 2_556
Na13 Na3 Na7 89.38(7) 1_455 2_556
Na13 Na3 Na7 58.72(5) 4_465 2_556
Na9 Na3 Na7 95.02(6) 4_566 2_556
Na9 Na3 Na7 124.65(8) 1_556 2_556
Na7 Na3 Na7 61.67(4) 1_556 2_556
F5 Na4 F1 169.48(18) . .
F5 Na4 O6 95.86(18) . .
F1 Na4 O6 73.63(16) . .
F5 Na4 O16 91.77(12) . 2_656
F1 Na4 O16 91.44(12) . 2_656
O6 Na4 O16 107.44(11) . 2_656
F5 Na4 O16 91.77(12) . 3_656
F1 Na4 O16 91.44(12) . 3_656
O6 Na4 O16 107.44(11) . 3_656
O16 Na4 O16 144.4(2) 2_656 3_656
F5 Na4 O11 120.82(19) . .
F1 Na4 O11 69.70(17) . .
O6 Na4 O11 143.3(2) . .
O16 Na4 O11 73.90(11) 2_656 .
O16 Na4 O11 73.90(11) 3_656 .
F5 Na4 Na1 140.08(8) . .
F1 Na4 Na1 46.32(7) . .
O6 Na4 Na1 105.52(12) . .
O16 Na4 Na1 112.58(13) 2_656 .
O16 Na4 Na1 49.98(10) 3_656 .
O11 Na4 Na1 46.25(9) . .
F5 Na4 Na1 140.08(8) . 2_656
F1 Na4 Na1 46.32(7) . 2_656
O6 Na4 Na1 105.52(12) . 2_656
O16 Na4 Na1 49.98(10) 2_656 2_656
O16 Na4 Na1 112.58(13) 3_656 2_656
O11 Na4 Na1 46.25(9) . 2_656
Na1 Na4 Na1 65.28(5) . 2_656
F5 Na4 Na12 45.48(8) . 4_565
F1 Na4 Na12 141.72(10) . 4_565
O6 Na4 Na12 126.34(13) . 4_565
O16 Na4 Na12 53.25(11) 2_656 4_565
O16 Na4 Na12 108.83(13) 3_656 4_565
O11 Na4 Na12 84.80(13) . 4_565
Na1 Na4 Na12 128.06(9) . 4_565
Na1 Na4 Na12 95.43(6) 2_656 4_565
F5 Na4 Na12 45.48(8) . .
F1 Na4 Na12 141.72(10) . .
O6 Na4 Na12 126.34(13) . .
O16 Na4 Na12 108.83(13) 2_656 .
O16 Na4 Na12 53.25(11) 3_656 .
O11 Na4 Na12 84.80(13) . .
Na1 Na4 Na12 95.43(6) . .
Na1 Na4 Na12 128.06(9) 2_656 .
Na12 Na4 Na12 57.86(8) 4_565 .
F5 Na4 S3 96.93(13) . .
F1 Na4 S3 93.58(12) . .
O6 Na4 S3 167.21(16) . .
O16 Na4 S3 72.18(10) 2_656 .
O16 Na4 S3 72.18(10) 3_656 .
O11 Na4 S3 23.89(13) . .
Na1 Na4 S3 64.04(5) . .
Na1 Na4 S3 64.04(5) 2_656 .
Na12 Na4 S3 64.19(6) 4_565 .
Na12 Na4 S3 64.19(6) . .
F5 Na4 Na10 125.76(12) . .
F1 Na4 Na10 45.99(8) . .
O6 Na4 Na10 44.39(10) . .
O16 Na4 Na10 129.34(13) 2_656 .
O16 Na4 Na10 74.39(11) 3_656 .
O11 Na4 Na10 105.43(14) . .
Na1 Na4 Na10 61.64(5) . .
Na1 Na4 Na10 92.09(7) 2_656 .
Na12 Na4 Na10 169.76(10) 4_565 .
Na12 Na4 Na10 121.68(5) . .
S3 Na4 Na10 125.67(8) . .
F6 Na5 O1 84.18(10) . 2_656
F6 Na5 O1 84.18(10) . 3_656
O1 Na5 O1 150.16(19) 2_656 3_656
F6 Na5 F4 78.56(15) . .
O1 Na5 F4 75.40(10) 2_656 .
O1 Na5 F4 75.40(10) 3_656 .
F6 Na5 O7 74.21(16) . .
O1 Na5 O7 101.54(10) 2_656 .
O1 Na5 O7 101.54(10) 3_656 .
F4 Na5 O7 152.77(18) . .
F6 Na5 O14 171.40(19) . 1_556
O1 Na5 O14 97.80(10) 2_656 1_556
O1 Na5 O14 97.80(10) 3_656 1_556
F4 Na5 O14 110.04(17) . 1_556
O7 Na5 O14 97.20(18) . 1_556
F6 Na5 Na13 46.33(8) . 4_565
O1 Na5 Na13 47.58(9) 2_656 4_565
O1 Na5 Na13 106.60(11) 3_656 4_565
F4 Na5 Na13 49.29(8) . 4_565
O7 Na5 Na13 108.54(12) . 4_565
O14 Na5 Na13 139.58(10) 1_556 4_565
F6 Na5 Na13 46.33(8) . .
O1 Na5 Na13 106.60(11) 2_656 .
O1 Na5 Na13 47.58(9) 3_656 .
F4 Na5 Na13 49.29(8) . .
O7 Na5 Na13 108.54(12) . .
O14 Na5 Na13 139.58(10) 1_556 .
Na13 Na5 Na13 59.58(8) 4_565 .
F6 Na5 Na7 104.93(11) . 2_656
O1 Na5 Na7 47.89(9) 2_656 2_656
O1 Na5 Na7 109.75(12) 3_656 2_656
F4 Na5 Na7 41.76(6) . 2_656
O7 Na5 Na7 148.50(3) . 2_656
O14 Na5 Na7 82.35(11) 1_556 2_656
Na13 Na5 Na7 59.41(5) 4_565 2_656
Na13 Na5 Na7 90.55(7) . 2_656
F6 Na5 Na7 104.93(11) . 1_656
O1 Na5 Na7 109.75(12) 2_656 1_656
O1 Na5 Na7 47.89(9) 3_656 1_656
F4 Na5 Na7 41.76(6) . 1_656
O7 Na5 Na7 148.50(3) . 1_656
O14 Na5 Na7 82.35(11) 1_556 1_656
Na13 Na5 Na7 90.55(7) 4_565 1_656
Na13 Na5 Na7 59.41(5) . 1_656
Na7 Na5 Na7 62.91(5) 2_656 1_656
F6 Na5 Na12 45.39(8) . .
O1 Na5 Na12 120.93(12) 2_656 .
O1 Na5 Na12 66.05(10) 3_656 .
F4 Na5 Na12 112.30(11) . .
O7 Na5 Na12 45.53(9) . .
O14 Na5 Na12 127.97(12) 1_556 .
Na13 Na5 Na12 91.71(7) 4_565 .
Na13 Na5 Na12 63.69(6) . .
Na7 Na5 Na12 149.29(9) 2_656 .
Na7 Na5 Na12 111.28(5) 1_656 .
F6 Na5 Na12 45.39(8) . 4_565
O1 Na5 Na12 66.05(10) 2_656 4_565
O1 Na5 Na12 120.93(12) 3_656 4_565
F4 Na5 Na12 112.30(11) . 4_565
O7 Na5 Na12 45.53(9) . 4_565
O14 Na5 Na12 127.97(12) 1_556 4_565
Na13 Na5 Na12 63.69(6) 4_565 4_565
Na13 Na5 Na12 91.71(7) . 4_565
Na7 Na5 Na12 111.28(5) 2_656 4_565
Na7 Na5 Na12 149.29(9) 1_656 4_565
Na12 Na5 Na12 56.84(8) . 4_565
F2 Na6 O2 83.55(11) 1_556 3_656
F2 Na6 O2 83.55(11) 1_556 2_656
O2 Na6 O2 146.3(2) 3_656 2_656
F2 Na6 O10 101.37(18) 1_556 .
O2 Na6 O10 106.51(10) 3_656 .
O2 Na6 O10 106.51(10) 2_656 .
F2 Na6 O17 167.2(2) 1_556 .
O2 Na6 O17 99.71(11) 3_656 .
O2 Na6 O17 99.71(11) 2_656 .
O10 Na6 O17 65.85(19) . .
F2 Na6 F3 76.19(15) 1_556 .
O2 Na6 F3 73.36(10) 3_656 .
O2 Na6 F3 73.36(10) 2_656 .
O10 Na6 F3 177.56(18) . .
O17 Na6 F3 116.60(19) . .
F2 Na6 O18 141.84(19) 1_556 .
O2 Na6 O18 85.59(12) 3_656 .
O2 Na6 O18 85.59(12) 2_656 .
O10 Na6 O18 116.79(19) . .
O17 Na6 O18 50.95(18) . .
F3 Na6 O18 65.65(15) . .
F2 Na6 Na9 45.88(9) 1_556 1_556
O2 Na6 Na9 46.97(9) 3_656 1_556
O2 Na6 Na9 104.02(12) 2_656 1_556
O10 Na6 Na9 131.13(13) . 1_556
O17 Na6 Na9 142.79(11) . 1_556
F3 Na6 Na9 47.01(8) . 1_556
O18 Na6 Na9 102.66(13) . 1_556
F2 Na6 Na9 45.88(9) 1_556 4_566
O2 Na6 Na9 104.02(12) 3_656 4_566
O2 Na6 Na9 46.97(9) 2_656 4_566
O10 Na6 Na9 131.13(13) . 4_566
O17 Na6 Na9 142.79(11) . 4_566
F3 Na6 Na9 47.01(8) . 4_566
O18 Na6 Na9 102.66(13) . 4_566
Na9 Na6 Na9 57.77(8) 1_556 4_566
F2 Na6 Na11 105.52(12) 1_556 .
O2 Na6 Na11 46.42(10) 3_656 .
O2 Na6 Na11 108.54(13) 2_656 .
O10 Na6 Na11 137.61(11) . .
O17 Na6 Na11 85.28(14) . .
F3 Na6 Na11 43.95(7) . .
O18 Na6 Na11 44.83(9) . .
Na9 Na6 Na11 60.23(6) 1_556 .
Na9 Na6 Na11 90.68(8) 4_566 .
F2 Na6 Na11 105.52(12) 1_556 4_565
O2 Na6 Na11 108.54(13) 3_656 4_565
O2 Na6 Na11 46.42(10) 2_656 4_565
O10 Na6 Na11 137.61(11) . 4_565
O17 Na6 Na11 85.28(13) . 4_565
F3 Na6 Na11 43.95(7) . 4_565
O18 Na6 Na11 44.83(9) . 4_565
Na9 Na6 Na11 90.68(8) 1_556 4_565
Na9 Na6 Na11 60.23(6) 4_566 4_565
Na11 Na6 Na11 63.50(9) . 4_565
F2 Na6 S5 168.03(16) 1_556 .
O2 Na6 S5 93.12(11) 3_656 .
O2 Na6 S5 93.12(11) 2_656 .
O10 Na6 S5 90.60(14) . .
O17 Na6 S5 24.75(14) . .
F3 Na6 S5 91.84(11) . .
O18 Na6 S5 26.19(12) . .
Na9 Na6 S5 124.81(8) 1_556 .
Na9 Na6 S5 124.81(8) 4_566 .
Na11 Na6 S5 64.59(6) . .
Na11 Na6 S5 64.59(6) 4_565 .
F4 Na7 F4 180.0(2) 3_656 1_454
F4 Na7 O13 105.78(12) 3_656 3_655
F4 Na7 O13 74.22(12) 1_454 3_655
F4 Na7 O13 74.22(12) 3_656 1_455
F4 Na7 O13 105.78(12) 1_454 1_455
O13 Na7 O13 180.00(13) 3_655 1_455
F4 Na7 O1 75.89(11) 3_656 .
F4 Na7 O1 104.11(11) 1_454 .
O13 Na7 O1 92.95(12) 3_655 .
O13 Na7 O1 87.05(12) 1_455 .
F4 Na7 O1 104.11(11) 3_656 3
F4 Na7 O1 75.89(11) 1_454 3
O13 Na7 O1 87.05(12) 3_655 3
O13 Na7 O1 92.95(12) 1_455 3
O1 Na7 O1 180.0(2) . 3
F4 Na7 Na13 48.73(8) 3_656 3_656
F4 Na7 Na13 131.27(8) 1_454 3_656
O13 Na7 Na13 132.10(9) 3_655 3_656
O13 Na7 Na13 47.90(9) 1_455 3_656
O1 Na7 Na13 46.52(8) . 3_656
O1 Na7 Na13 133.48(8) 3 3_656
F4 Na7 Na13 131.27(8) 3_656 1_454
F4 Na7 Na13 48.73(8) 1_454 1_454
O13 Na7 Na13 47.90(9) 3_655 1_454
O13 Na7 Na13 132.10(9) 1_455 1_454
O1 Na7 Na13 133.48(8) . 1_454
O1 Na7 Na13 46.52(8) 3 1_454
Na13 Na7 Na13 180.00(9) 3_656 1_454
F4 Na7 Na5 134.62(10) 3_656 1_454
F4 Na7 Na5 45.38(10) 1_454 1_454
O13 Na7 Na5 104.43(10) 3_655 1_454
O13 Na7 Na5 75.57(10) 1_455 1_454
O1 Na7 Na5 134.99(8) . 1_454
O1 Na7 Na5 45.01(8) 3 1_454
Na13 Na7 Na5 122.06(5) 3_656 1_454
Na13 Na7 Na5 57.94(5) 1_454 1_454
F4 Na7 Na5 45.38(10) 3_656 3_656
F4 Na7 Na5 134.62(10) 1_454 3_656
O13 Na7 Na5 75.57(10) 3_655 3_656
O13 Na7 Na5 104.43(10) 1_455 3_656
O1 Na7 Na5 45.01(8) . 3_656
O1 Na7 Na5 134.99(8) 3 3_656
Na13 Na7 Na5 57.94(5) 3_656 3_656
Na13 Na7 Na5 122.06(5) 1_454 3_656
Na5 Na7 Na5 180.0 1_454 3_656
F4 Na7 Na3 137.82(10) 3_656 1_554
F4 Na7 Na3 42.18(10) 1_454 1_554
O13 Na7 Na3 44.21(9) 3_655 1_554
O13 Na7 Na3 135.79(9) 1_455 1_554
O1 Na7 Na3 77.26(9) . 1_554
O1 Na7 Na3 102.74(9) 3 1_554
Na13 Na7 Na3 122.57(5) 3_656 1_554
Na13 Na7 Na3 57.43(5) 1_454 1_554
Na5 Na7 Na3 86.87(5) 1_454 1_554
Na5 Na7 Na3 93.13(5) 3_656 1_554
F4 Na7 Na3 42.18(10) 3_656 3_556
F4 Na7 Na3 137.82(10) 1_454 3_556
O13 Na7 Na3 135.79(9) 3_655 3_556
O13 Na7 Na3 44.21(9) 1_455 3_556
O1 Na7 Na3 102.74(9) . 3_556
O1 Na7 Na3 77.26(9) 3 3_556
Na13 Na7 Na3 57.43(5) 3_656 3_556
Na13 Na7 Na3 122.57(5) 1_454 3_556
Na5 Na7 Na3 93.13(5) 1_454 3_556
Na5 Na7 Na3 86.87(5) 3_656 3_556
Na3 Na7 Na3 180.00(6) 1_554 3_556
F6 Na8 O4 82.41(10) . 3_656
F6 Na8 O4 82.41(10) . 2_656
O4 Na8 O4 154.27(19) 3_656 2_656
F6 Na8 O15 147.5(2) . .
O4 Na8 O15 90.87(11) 3_656 .
O4 Na8 O15 90.87(11) 2_656 .
F6 Na8 O12 118.77(18) . 1_655
O4 Na8 O12 102.75(10) 3_656 1_655
O4 Na8 O12 102.75(10) 2_656 1_655
O15 Na8 O12 93.69(19) . 1_655
F6 Na8 F5 75.44(14) . .
O4 Na8 F5 78.07(10) 3_656 .
O4 Na8 F5 78.07(10) 2_656 .
O15 Na8 F5 72.10(17) . .
O12 Na8 F5 165.79(17) 1_655 .
F6 Na8 Na11 106.20(11) . 3_656
O4 Na8 Na11 50.32(10) 3_656 3_656
O4 Na8 Na11 115.44(13) 2_656 3_656
O15 Na8 Na11 48.79(10) . 3_656
O12 Na8 Na11 123.85(11) 1_655 3_656
F5 Na8 Na11 46.12(7) . 3_656
F6 Na8 Na11 106.20(11) . 2_656
O4 Na8 Na11 115.44(13) 3_656 2_656
O4 Na8 Na11 50.32(10) 2_656 2_656
O15 Na8 Na11 48.79(10) . 2_656
O12 Na8 Na11 123.85(11) 1_655 2_656
F5 Na8 Na11 46.12(7) . 2_656
Na11 Na8 Na11 66.43(9) 3_656 2_656
F6 Na8 Na12 47.13(8) . .
O4 Na8 Na12 48.28(9) 3_656 .
O4 Na8 Na12 106.89(11) 2_656 .
O15 Na8 Na12 106.36(14) . .
O12 Na8 Na12 143.60(9) 1_655 .
F5 Na8 Na12 45.71(8) . .
Na11 Na8 Na12 59.45(6) 3_656 .
Na11 Na8 Na12 91.65(8) 2_656 .
F6 Na8 Na12 47.13(8) . 4_565
O4 Na8 Na12 106.89(11) 3_656 4_565
O4 Na8 Na12 48.28(9) 2_656 4_565
O15 Na8 Na12 106.36(14) . 4_565
O12 Na8 Na12 143.60(9) 1_655 4_565
F5 Na8 Na12 45.71(8) . 4_565
Na11 Na8 Na12 91.65(8) 3_656 4_565
Na11 Na8 Na12 59.45(6) 2_656 4_565
Na12 Na8 Na12 58.72(8) . 4_565
F6 Na8 S4 94.56(13) . 1_655
O4 Na8 S4 100.90(11) 3_656 1_655
O4 Na8 S4 100.90(11) 2_656 1_655
O15 Na8 S4 117.90(15) . 1_655
O12 Na8 S4 24.21(11) 1_655 1_655
F5 Na8 S4 170.00(13) . 1_655
Na11 Na8 S4 139.82(6) 3_656 1_655
Na11 Na8 S4 139.82(6) 2_656 1_655
Na12 Na8 S4 126.66(8) . 1_655
Na12 Na8 S4 126.66(8) 4_565 1_655
F6 Na8 Na13 42.90(8) . 4_565
O4 Na8 Na13 116.64(12) 3_656 4_565
O4 Na8 Na13 62.30(10) 2_656 4_565
O15 Na8 Na13 152.03(4) . 4_565
O12 Na8 Na13 85.39(12) 1_655 4_565
F5 Na8 Na13 107.09(10) . 4_565
Na11 Na8 Na13 148.28(9) 3_656 4_565
Na11 Na8 Na13 109.72(6) 2_656 4_565
Na12 Na8 Na13 90.02(7) . 4_565
Na12 Na8 Na13 62.68(6) 4_565 4_565
S4 Na8 Na13 64.27(6) 1_655 4_565
O3 Na9 F2 76.75(14) 3_656 .
O3 Na9 O2 104.60(14) 3_656 3_655
F2 Na9 O2 82.38(14) . 3_655
O3 Na9 O5 94.84(15) 3_656 .
F2 Na9 O5 86.06(13) . .
O2 Na9 O5 154.36(15) 3_655 .
O3 Na9 F3 156.14(15) 3_656 1_554
F2 Na9 F3 80.35(13) . 1_554
O2 Na9 F3 78.67(13) 3_655 1_554
O5 Na9 F3 76.87(13) . 1_554
O3 Na9 O14 91.46(15) 3_656 3_655
F2 Na9 O14 167.78(15) . 3_655
O2 Na9 O14 97.77(15) 3_655 3_655
O5 Na9 O14 98.29(14) . 3_655
F3 Na9 O14 111.72(14) 1_554 3_655
O3 Na9 Na9 108.24(10) 3_656 4_565
F2 Na9 Na9 47.71(8) . 4_565
O2 Na9 Na9 107.76(10) 3_655 4_565
O5 Na9 Na9 49.15(8) . 4_565
F3 Na9 Na9 49.62(7) 1_554 4_565
O14 Na9 Na9 141.94(10) 3_655 4_565
O3 Na9 Na6 110.46(12) 3_656 1_554
F2 Na9 Na6 44.04(11) . 1_554
O2 Na9 Na6 47.41(10) 3_655 1_554
O5 Na9 Na6 110.15(10) . 1_554
F3 Na9 Na6 54.16(11) 1_554 1_554
O14 Na9 Na6 141.70(13) 3_655 1_554
Na9 Na9 Na6 61.11(4) 4_565 1_554
O3 Na9 Na11 149.60(12) 3_656 1_554
F2 Na9 Na11 104.49(12) . 1_554
O2 Na9 Na11 46.87(10) 3_655 1_554
O5 Na9 Na11 115.55(13) . 1_554
F3 Na9 Na11 44.79(7) 1_554 1_554
O14 Na9 Na11 84.02(12) 3_655 1_554
Na9 Na9 Na11 93.12(5) 4_565 1_554
Na6 Na9 Na11 61.02(6) 1_554 1_554
O3 Na9 Na10 46.27(9) 3_656 .
F2 Na9 Na10 43.84(8) . .
O2 Na9 Na10 69.54(10) 3_655 .
O5 Na9 Na10 115.85(13) . .
F3 Na9 Na10 117.28(11) 1_554 .
O14 Na9 Na10 124.77(12) 3_655 .
Na9 Na9 Na10 91.02(5) 4_565 .
Na6 Na9 Na10 64.62(7) 1_554 .
Na11 Na9 Na10 114.17(7) 1_554 .
O3 Na9 Na3 142.67(12) 3_656 1_554
F2 Na9 Na3 108.88(9) . 1_554
O2 Na9 Na3 112.71(12) 3_655 1_554
O5 Na9 Na3 50.34(13) . 1_554
F3 Na9 Na3 42.34(10) 1_554 1_554
O14 Na9 Na3 82.42(10) 3_655 1_554
Na9 Na9 Na3 62.01(4) 4_565 1_554
Na6 Na9 Na3 96.15(7) 1_554 1_554
Na11 Na9 Na3 66.58(6) 1_554 1_554
Na10 Na9 Na3 152.71(7) . 1_554
O3 Na9 S6 115.48(11) 3_656 3_655
F2 Na9 S6 167.57(12) . 3_655
O2 Na9 S6 91.89(11) 3_655 3_655
O5 Na9 S6 94.70(12) . 3_655
F3 Na9 S6 87.73(9) 1_554 3_655
O14 Na9 S6 24.03(10) 3_655 3_655
Na9 Na9 S6 125.18(4) 4_565 3_655
Na6 Na9 S6 124.98(7) 1_554 3_655
Na11 Na9 S6 64.01(5) 1_554 3_655
Na10 Na9 S6 143.41(7) . 3_655
Na3 Na9 S6 63.18(4) 1_554 3_655
F2 Na10 O6 84.11(14) . .
F2 Na10 O3 75.24(13) . 3_656
O6 Na10 O3 153.04(15) . 3_656
F2 Na10 F1 78.59(13) . .
O6 Na10 F1 71.92(13) . .
O3 Na10 F1 86.95(13) 3_656 .
F2 Na10 O17 175.25(17) . 3_656
O6 Na10 O17 97.54(17) . 3_656
O3 Na10 O17 104.45(18) 3_656 3_656
F1 Na10 O17 106.15(16) . 3_656
F2 Na10 O10 109.13(15) . 3_656
O6 Na10 O10 108.56(15) . 3_656
O3 Na10 O10 94.65(16) 3_656 3_656
F1 Na10 O10 172.26(15) . 3_656
O17 Na10 O10 66.12(17) 3_656 3_656
F2 Na10 Na2 52.68(11) . .
O6 Na10 Na2 104.24(11) . .
O3 Na10 Na2 49.23(10) 3_656 .
F1 Na10 Na2 44.36(11) . .
O17 Na10 Na2 130.69(18) 3_656 .
O10 Na10 Na2 140.30(14) 3_656 .
F2 Na10 Na10 45.28(8) . 4_565
O6 Na10 Na10 47.32(9) . 4_565
O3 Na10 Na10 106.02(10) 3_656 4_565
F1 Na10 Na10 48.74(7) . 4_565
O17 Na10 Na10 138.37(11) 3_656 4_565
O10 Na10 Na10 137.28(9) 3_656 4_565
Na2 Na10 Na10 59.59(4) . 4_565
F2 Na10 Na9 44.25(8) . .
O6 Na10 Na9 125.43(13) . .
O3 Na10 Na9 43.97(9) 3_656 .
F1 Na10 Na9 105.70(11) . .
O17 Na10 Na9 132.57(13) 3_656 .
O10 Na10 Na9 80.47(13) 3_656 .
Na2 Na10 Na9 62.29(7) . .
Na10 Na10 Na9 88.98(5) 4_565 .
F2 Na10 S3 97.70(10) . 3_656
O6 Na10 S3 161.84(13) . 3_656
O3 Na10 S3 22.47(9) 3_656 3_656
F1 Na10 S3 90.65(9) . 3_656
O17 Na10 S3 82.13(16) 3_656 3_656
O10 Na10 S3 88.01(12) 3_656 3_656
Na2 Na10 S3 64.08(4) . 3_656
Na10 Na10 S3 123.65(4) 4_565 3_656
Na9 Na10 S3 63.30(5) . 3_656
F2 Na10 Na1 113.62(12) . .
O6 Na10 Na1 100.49(13) . .
O3 Na10 Na1 73.05(9) 3_656 .
F1 Na10 Na1 43.40(6) . .
O17 Na10 Na1 70.53(16) 3_656 .
O10 Na10 Na1 130.02(11) 3_656 .
Na2 Na10 Na1 62.36(6) . .
Na10 Na10 Na1 92.11(3) 4_565 .
Na9 Na10 Na1 114.05(6) . .
S3 Na10 Na1 62.15(4) 3_656 .
F2 Na10 Na4 106.57(10) . .
O6 Na10 Na4 44.36(13) . .
O3 Na10 Na4 126.06(12) 3_656 .
F1 Na10 Na4 43.74(10) . .
O17 Na10 Na4 77.53(11) 3_656 .
O10 Na10 Na4 131.31(14) 3_656 .
Na2 Na10 Na4 88.05(8) . .
Na10 Na10 Na4 61.69(4) 4_565 .
Na9 Na10 Na4 146.81(8) . .
S3 Na10 Na4 118.74(7) 3_656 .
Na1 Na10 Na4 56.60(5) . .
F3 Na11 F5 177.85(16) . 3_656
F3 Na11 O2 80.01(13) . 3_656
F5 Na11 O2 98.27(14) 3_656 3_656
F3 Na11 O18 80.17(15) . .
F5 Na11 O18 98.86(15) 3_656 .
O2 Na11 O18 98.1(2) 3_656 .
F3 Na11 O15 104.86(14) . 3_656
F5 Na11 O15 76.45(13) 3_656 3_656
O2 Na11 O15 92.87(16) 3_656 3_656
O18 Na11 O15 168.6(2) . 3_656
F3 Na11 O4 101.19(14) . .
F5 Na11 O4 80.52(13) 3_656 .
O2 Na11 O4 178.73(14) 3_656 .
O18 Na11 O4 81.7(2) . .
O15 Na11 O4 87.25(15) 3_656 .
F3 Na11 Na12 133.29(11) . 3_656
F5 Na11 Na12 47.13(8) 3_656 3_656
O2 Na11 Na12 130.07(11) 3_656 3_656
O18 Na11 Na12 62.86(18) . 3_656
O15 Na11 Na12 107.49(13) 3_656 3_656
O4 Na11 Na12 48.74(8) . 3_656
F3 Na11 Na8 129.00(12) . 3_656
F5 Na11 Na8 53.14(11) 3_656 3_656
O2 Na11 Na8 132.85(12) 3_656 3_656
O18 Na11 Na8 120.6(2) . 3_656
O15 Na11 Na8 48.33(13) 3_656 3_656
O4 Na11 Na8 46.61(9) . 3_656
Na12 Na11 Na8 61.07(6) 3_656 3_656
F3 Na11 Na9 47.22(9) . 1_556
F5 Na11 Na9 132.17(11) 3_656 1_556
O2 Na11 Na9 46.14(9) 3_656 1_556
O18 Na11 Na9 114.61(19) . 1_556
O15 Na11 Na9 75.38(13) 3_656 1_556
O4 Na11 Na9 135.07(10) . 1_556
Na12 Na11 Na9 175.83(8) 3_656 1_556
Na8 Na11 Na9 122.40(7) 3_656 1_556
F3 Na11 Na6 53.25(11) . .
F5 Na11 Na6 124.61(12) 3_656 .
O2 Na11 Na6 46.13(10) 3_656 .
O18 Na11 Na6 59.0(2) . .
O15 Na11 Na6 132.22(14) 3_656 .
O4 Na11 Na6 134.35(11) . .
Na12 Na11 Na6 117.69(8) 3_656 .
Na8 Na11 Na6 177.75(8) 3_656 .
Na9 Na11 Na6 58.75(6) 1_556 .
F3 Na11 Na11 41.22(8) . 4_565
F5 Na11 Na11 138.60(8) 3_656 4_565
O2 Na11 Na11 103.11(10) 3_656 4_565
O18 Na11 Na11 43.55(11) . 4_565
O15 Na11 Na11 136.27(10) 3_656 4_565
O4 Na11 Na11 77.65(9) . 4_565
Na12 Na11 Na11 92.85(5) 3_656 4_565
Na8 Na11 Na11 123.22(4) 3_656 4_565
Na9 Na11 Na11 86.88(5) 1_556 4_565
Na6 Na11 Na11 58.25(4) . 4_565
F3 Na11 Na11 138.78(8) . 4
F5 Na11 Na11 41.40(8) 3_656 4
O2 Na11 Na11 76.89(10) 3_656 4
O18 Na11 Na11 136.45(11) . 4
O15 Na11 Na11 43.73(10) 3_656 4
O4 Na11 Na11 102.35(9) . 4
Na12 Na11 Na11 87.15(5) 3_656 4
Na8 Na11 Na11 56.78(4) 3_656 4
Na9 Na11 Na11 93.12(5) 1_556 4
Na6 Na11 Na11 121.75(4) . 4
Na11 Na11 Na11 180.00(12) 4_565 4
F5 Na12 F6 78.71(12) . .
F5 Na12 O7 85.50(14) . .
F6 Na12 O7 74.57(14) . .
F5 Na12 O9 166.91(16) . 3_656
F6 Na12 O9 114.38(14) . 3_656
O7 Na12 O9 97.82(15) . 3_656
F5 Na12 O4 81.26(13) . 3_656
F6 Na12 O4 78.77(12) . 3_656
O7 Na12 O4 152.08(15) . 3_656
O9 Na12 O4 100.61(15) 3_656 3_656
F5 Na12 O16 84.91(14) . 3_656
F6 Na12 O16 152.84(13) . 3_656
O7 Na12 O16 82.73(16) . 3_656
O9 Na12 O16 82.98(15) 3_656 3_656
O4 Na12 O16 120.14(13) 3_656 3_656
F5 Na12 O18 83.66(13) . 3_656
F6 Na12 O18 147.08(14) . 3_656
O7 Na12 O18 131.63(19) . 3_656
O9 Na12 O18 84.71(14) 3_656 3_656
O4 Na12 O18 71.19(14) 3_656 3_656
O16 Na12 O18 49.46(14) 3_656 3_656
F5 Na12 Na12 47.28(8) . 4_565
F6 Na12 Na12 48.04(7) . 4_565
O7 Na12 Na12 48.23(9) . 4_565
O9 Na12 Na12 141.77(10) 3_656 4_565
O4 Na12 Na12 106.46(9) 3_656 4_565
O16 Na12 Na12 105.29(9) 3_656 4_565
O18 Na12 Na12 129.30(11) 3_656 4_565
F5 Na12 Na11 46.79(8) . 3_656
F6 Na12 Na11 104.06(10) . 3_656
O7 Na12 Na11 129.88(15) . 3_656
O9 Na12 Na11 125.35(12) 3_656 3_656
O4 Na12 Na11 50.04(9) 3_656 3_656
O16 Na12 Na11 79.18(10) 3_656 3_656
O18 Na12 Na11 45.45(10) 3_656 3_656
Na12 Na12 Na11 92.85(5) 4_565 3_656
F5 Na12 Na8 52.21(11) . .
F6 Na12 Na8 44.94(9) . .
O7 Na12 Na8 107.15(10) . .
O9 Na12 Na8 137.02(14) 3_656 .
O4 Na12 Na8 45.94(9) 3_656 .
O16 Na12 Na8 133.66(11) 3_656 .
O18 Na12 Na8 102.65(12) 3_656 .
Na12 Na12 Na8 60.64(4) 4_565 .
Na11 Na12 Na8 59.48(6) 3_656 .
F5 Na12 Na4 44.79(11) . .
F6 Na12 Na4 108.70(9) . .
O7 Na12 Na4 63.73(15) . .
O9 Na12 Na4 125.89(14) 3_656 .
O4 Na12 Na4 118.90(11) 3_656 .
O16 Na12 Na4 46.30(9) 3_656 .
O18 Na12 Na4 75.81(12) 3_656 .
Na12 Na12 Na4 61.07(4) 4_565 .
Na11 Na12 Na4 70.09(7) 3_656 .
Na8 Na12 Na4 96.71(7) . .
F5 Na12 Na5 108.31(9) . .
F6 Na12 Na5 44.06(9) . .
O7 Na12 Na5 47.31(15) . .
O9 Na12 Na5 82.83(10) 3_656 .
O4 Na12 Na5 114.74(11) 3_656 .
O16 Na12 Na5 124.91(11) 3_656 .
O18 Na12 Na5 167.02(12) 3_656 .
Na12 Na12 Na5 61.58(4) 4_565 .
Na11 Na12 Na5 147.33(8) 3_656 .
Na8 Na12 Na5 88.99(7) . .
Na4 Na12 Na5 108.87(7) . .
F6 Na13 O1 84.59(13) . 3_656
F6 Na13 O8 81.93(14) . 1_655
O1 Na13 O8 154.57(14) 3_656 1_655
F6 Na13 O13 148.75(14) . 3_756
O1 Na13 O13 90.43(14) 3_656 3_756
O8 Na13 O13 90.03(16) 1_655 3_756
F6 Na13 F4 77.76(12) . .
O1 Na13 F4 74.43(12) 3_656 .
O8 Na13 F4 81.68(13) 1_655 .
O13 Na13 F4 71.20(13) 3_756 .
F6 Na13 O12 116.92(14) . 3_656
O1 Na13 O12 104.77(15) 3_656 3_656
O8 Na13 O12 100.55(14) 1_655 3_656
O13 Na13 O12 94.19(15) 3_756 3_656
F4 Na13 O12 165.29(15) . 3_656
F6 Na13 Na13 46.69(8) . 4_565
O1 Na13 Na13 107.29(9) 3_656 4_565
O8 Na13 Na13 48.64(8) 1_655 4_565
O13 Na13 Na13 106.82(10) 3_756 4_565
F4 Na13 Na13 49.43(7) . 4_565
O12 Na13 Na13 141.16(10) 3_656 4_565
F6 Na13 Na5 46.75(9) . .
O1 Na13 Na5 47.65(9) 3_656 .
O8 Na13 Na5 108.82(10) 1_655 .
O13 Na13 Na5 109.75(11) 3_756 .
F4 Na13 Na5 47.82(10) . .
O12 Na13 Na5 141.52(14) 3_656 .
Na13 Na13 Na5 60.21(4) 4_565 .
F6 Na13 Na3 106.45(9) . 1_655
O1 Na13 Na3 112.07(11) 3_656 1_655
O8 Na13 Na3 52.51(13) 1_655 1_655
O13 Na13 Na3 47.58(10) 3_756 1_655
F4 Na13 Na3 45.90(10) . 1_655
O12 Na13 Na3 124.75(14) 3_656 1_655
Na13 Na13 Na3 60.26(4) 4_565 1_655
Na5 Na13 Na3 93.19(7) . 1_655
F6 Na13 Na7 108.53(10) . 1_656
O1 Na13 Na7 49.64(9) 3_656 1_656
O8 Na13 Na7 115.49(13) 1_655 1_656
O13 Na13 Na7 48.64(9) 3_756 1_656
F4 Na13 Na7 43.44(6) . 1_656
O12 Na13 Na7 124.93(11) 3_656 1_656
Na13 Na13 Na7 92.83(3) 4_565 1_656
Na5 Na13 Na7 62.65(5) . 1_656
Na3 Na13 Na7 63.86(5) 1_655 1_656
F6 Na13 S4 93.08(9) . 3_656
O1 Na13 S4 103.28(10) 3_656 3_656
O8 Na13 S4 98.89(11) 1_655 3_656
O13 Na13 S4 118.04(11) 3_756 3_656
F4 Na13 S4 170.68(11) . 3_656
O12 Na13 S4 23.86(11) 3_656 3_656
Na13 Na13 S4 124.61(4) 4_565 3_656
Na5 Na13 S4 124.01(8) . 3_656
Na3 Na13 S4 140.71(8) 1_655 3_656
Na7 Na13 S4 141.13(6) 1_656 3_656
F6 Na13 Na8 42.55(9) . .
O1 Na13 Na8 119.13(12) 3_656 .
O8 Na13 Na8 61.39(13) 1_655 .
O13 Na13 Na8 150.05(12) 3_756 .
F4 Na13 Na8 110.06(9) . .
O12 Na13 Na8 83.39(10) 3_656 .
Na13 Na13 Na8 62.07(4) 4_565 .
Na5 Na13 Na8 89.28(7) . .
Na3 Na13 Na8 110.64(7) 1_655 .
Na7 Na13 Na8 149.98(7) 1_656 .
S4 Na13 Na8 62.81(4) 3_656 .
O5 S1 O1 109.68(17) . .
O5 S1 O1 109.68(17) . 4_565
O1 S1 O1 109.2(3) . 4_565
O5 S1 O9 109.7(3) . .
O1 S1 O9 109.25(18) . .
O1 S1 O9 109.25(18) 4_565 .
O5 S1 Na2 66.2(2) . .
O1 S1 Na2 124.55(14) . .
O1 S1 Na2 124.55(14) 4_565 .
O9 S1 Na2 43.6(2) . .
O5 S1 Na12 121.58(16) . 2_656
O1 S1 Na12 125.63(15) . 2_656
O1 S1 Na12 70.74(14) 4_565 2_656
O9 S1 Na12 38.60(9) . 2_656
Na2 S1 Na12 67.93(6) . 2_656
O5 S1 Na12 121.58(16) . 3_656
O1 S1 Na12 70.74(14) . 3_656
O1 S1 Na12 125.63(15) 4_565 3_656
O9 S1 Na12 38.60(9) . 3_656
Na2 S1 Na12 67.93(6) . 3_656
Na12 S1 Na12 68.06(7) 2_656 3_656
O10 S2 O6 109.8(3) 1_554 .
O10 S2 O2 110.17(18) 1_554 4_565
O6 S2 O2 108.74(18) . 4_565
O10 S2 O2 110.17(18) 1_554 .
O6 S2 O2 108.74(18) . .
O2 S2 O2 109.2(3) 4_565 .
O7 S3 O11 110.9(3) . .
O7 S3 O3 109.62(19) . 4_565
O11 S3 O3 108.4(2) . 4_565
O7 S3 O3 109.62(19) . .
O11 S3 O3 108.4(2) . .
O3 S3 O3 109.8(3) 4_565 .
O7 S3 Na4 66.8(2) . .
O11 S3 Na4 44.2(2) . .
O3 S3 Na4 124.17(15) 4_565 .
O3 S3 Na4 124.17(15) . .
O7 S3 Na10 145.52(6) . 3_656
O11 S3 Na10 79.3(2) . 3_656
O3 S3 Na10 97.04(15) 4_565 3_656
O3 S3 Na10 38.37(14) . 3_656
Na4 S3 Na10 115.56(6) . 3_656
O7 S3 Na10 145.52(6) . 2_656
O11 S3 Na10 79.3(2) . 2_656
O3 S3 Na10 38.37(14) 4_565 2_656
O3 S3 Na10 97.04(15) . 2_656
Na4 S3 Na10 115.56(6) . 2_656
Na10 S3 Na10 67.31(7) 3_656 2_656
O8 S4 O4 110.25(17) . 4_565
O8 S4 O4 110.25(17) . .
O4 S4 O4 110.0(3) 4_565 .
O8 S4 O12 109.1(3) . .
O4 S4 O12 108.59(18) 4_565 .
O4 S4 O12 108.59(18) . .
O8 S4 Na8 67.0(2) . 1_455
O4 S4 Na8 123.80(14) 4_565 1_455
O4 S4 Na8 123.80(15) . 1_455
O12 S4 Na8 42.2(2) . 1_455
O8 S4 Na13 124.63(16) . 3_656
O4 S4 Na13 122.74(15) 4_565 3_656
O4 S4 Na13 67.06(14) . 3_656
O12 S4 Na13 41.53(11) . 3_656
Na8 S4 Na13 71.01(5) 1_455 3_656
O8 S4 Na13 124.63(16) . 2_656
O4 S4 Na13 67.06(14) 4_565 2_656
O4 S4 Na13 122.74(15) . 2_656
O12 S4 Na13 41.53(11) . 2_656
Na8 S4 Na13 71.01(5) 1_455 2_656
Na13 S4 Na13 69.22(7) 3_656 2_656
O17 S5 O18 110.0(4) . .
O17 S5 O16 110.8(2) . .
O18 S5 O16 108.8(2) . .
O17 S5 O16 110.8(2) . 4_565
O18 S5 O16 108.8(2) . 4_565
O16 S5 O16 107.5(3) . 4_565
O17 S5 Na6 48.2(3) . .
O18 S5 Na6 61.8(3) . .
O16 S5 Na6 126.10(16) . .
O16 S5 Na6 126.10(16) 4_565 .
O17 S5 Na12 143.37(11) . 3_656
O18 S5 Na12 62.5(3) . 3_656
O16 S5 Na12 49.91(16) . 3_656
O16 S5 Na12 105.22(17) 4_565 3_656
Na6 S5 Na12 112.72(6) . 3_656
O17 S5 Na12 143.37(11) . 2_656
O18 S5 Na12 62.5(3) . 2_656
O16 S5 Na12 105.22(17) . 2_656
O16 S5 Na12 49.91(16) 4_565 2_656
Na6 S5 Na12 112.72(6) . 2_656
Na12 S5 Na12 68.40(7) 3_656 2_656
O13 S6 O13 110.2(3) 4_565 .
O13 S6 O15 110.16(18) 4_565 .
O13 S6 O15 110.16(18) . .
O13 S6 O14 108.65(18) 4_565 .
O13 S6 O14 108.65(18) . .
O15 S6 O14 109.0(3) . .
O13 S6 Na9 150.60(16) 4_565 3_655
O13 S6 Na9 85.76(16) . 3_655
O15 S6 Na9 85.49(18) . 3_655
O14 S6 Na9 41.95(10) . 3_655
O13 S6 Na9 85.76(16) 4_565 2_655
O13 S6 Na9 150.60(16) . 2_655
O15 S6 Na9 85.49(18) . 2_655
O14 S6 Na9 41.95(10) . 2_655
Na9 S6 Na9 70.37(7) 3_655 2_655
S1 O1 Na13 130.3(2) . 3_656
S1 O1 Na5 129.7(2) . 3_656
Na13 O1 Na5 84.76(13) 3_656 3_656
S1 O1 Na7 125.6(2) . .
Na13 O1 Na7 83.84(11) 3_656 .
Na5 O1 Na7 87.10(12) 3_656 .
S2 O2 Na9 128.9(2) . 3_655
S2 O2 Na6 127.9(2) . 3_656
Na9 O2 Na6 85.63(14) 3_655 3_656
S2 O2 Na11 126.0(2) . 3_656
Na9 O2 Na11 86.99(13) 3_655 3_656
Na6 O2 Na11 87.45(14) 3_656 3_656
S3 O3 Na9 135.4(2) . 3_656
S3 O3 Na10 119.2(2) . 3_656
Na9 O3 Na10 89.76(13) 3_656 3_656
S3 O3 Na2 124.0(2) . 3_656
Na9 O3 Na2 90.50(15) 3_656 3_656
Na10 O3 Na2 82.71(14) 3_656 3_656
S4 O4 Na8 132.6(2) . 3_656
S4 O4 Na12 132.6(2) . 3_656
Na8 O4 Na12 85.78(13) 3_656 3_656
S4 O4 Na11 123.2(2) . .
Na8 O4 Na11 83.07(13) 3_656 .
Na12 O4 Na11 81.22(12) 3_656 .
S1 O5 Na9 135.14(13) . 4_565
S1 O5 Na9 135.14(13) . .
Na9 O5 Na9 81.71(17) 4_565 .
S1 O5 Na3 118.2(3) . 1_554
Na9 O5 Na3 84.13(14) 4_565 1_554
Na9 O5 Na3 84.13(14) . 1_554
S1 O5 Na2 87.2(2) . .
Na9 O5 Na2 76.73(14) 4_565 .
Na9 O5 Na2 76.73(14) . .
Na3 O5 Na2 154.57(19) 1_554 .
S2 O6 Na4 130.5(3) . .
S2 O6 Na10 123.00(19) . .
Na4 O6 Na10 91.25(15) . .
S2 O6 Na10 123.00(19) . 4_565
Na4 O6 Na10 91.25(15) . 4_565
Na10 O6 Na10 85.36(18) . 4_565
S3 O7 Na12 131.96(18) . 4_565
S3 O7 Na12 131.96(18) . .
Na12 O7 Na12 83.54(17) 4_565 .
S3 O7 Na5 120.1(3) . .
Na12 O7 Na5 87.15(16) 4_565 .
Na12 O7 Na5 87.15(16) . .
S4 O8 Na13 133.81(14) . 1_455
S4 O8 Na13 133.81(14) . 4_465
Na13 O8 Na13 82.73(17) 1_455 4_465
S4 O8 Na3 126.3(3) . .
Na13 O8 Na3 79.85(13) 1_455 .
Na13 O8 Na3 79.85(13) 4_465 .
S1 O9 Na12 118.87(16) . 2_656
S1 O9 Na12 118.87(16) . 3_656
Na12 O9 Na12 103.53(19) 2_656 3_656
S1 O9 Na2 111.4(3) . .
Na12 O9 Na2 100.59(15) 2_656 .
Na12 O9 Na2 100.59(15) 3_656 .
S2 O10 Na6 130.0(3) 1_556 .
S2 O10 Na10 119.47(18) 1_556 3_656
Na6 O10 Na10 92.35(15) . 3_656
S2 O10 Na10 119.47(18) 1_556 2_656
Na6 O10 Na10 92.35(15) . 2_656
Na10 O10 Na10 94.55(19) 3_656 2_656
S3 O11 Na1 131.19(11) . .
S3 O11 Na1 131.19(11) . 2_656
Na1 O11 Na1 95.62(19) . 2_656
S3 O11 Na4 111.9(3) . .
Na1 O11 Na4 82.89(15) . .
Na1 O11 Na4 82.89(15) 2_656 .
S4 O12 Na8 113.6(3) . 1_455
S4 O12 Na13 114.62(17) . 3_656
Na8 O12 Na13 105.23(15) 1_455 3_656
S4 O12 Na13 114.62(17) . 2_656
Na8 O12 Na13 105.23(15) 1_455 2_656
Na13 O12 Na13 102.3(2) 3_656 2_656
S6 O13 Na3 129.5(2) . 3_656
S6 O13 Na13 128.6(2) . 3_756
Na3 O13 Na13 83.60(14) 3_656 3_756
S6 O13 Na7 126.7(2) . 1_655
Na3 O13 Na7 89.80(14) 3_656 1_655
Na13 O13 Na7 83.46(12) 3_756 1_655
S6 O14 Na9 114.02(16) . 3_655
S6 O14 Na9 114.02(16) . 2_655
Na9 O14 Na9 103.88(19) 3_655 2_655
S6 O14 Na5 116.0(3) . 1_554
Na9 O14 Na5 103.77(14) 3_655 1_554
Na9 O14 Na5 103.77(14) 2_655 1_554
S6 O15 Na8 129.9(3) . .
S6 O15 Na11 126.96(16) . 3_656
Na8 O15 Na11 82.88(15) . 3_656
S6 O15 Na11 126.96(16) . 2_656
Na8 O15 Na11 82.88(15) . 2_656
Na11 O15 Na11 92.5(2) 3_656 2_656
S5 O16 Na4 126.2(2) . 3_656
S5 O16 Na1 116.1(2) . .
Na4 O16 Na1 82.34(14) 3_656 .
S5 O16 Na12 105.1(2) . 3_656
Na4 O16 Na12 80.45(14) 3_656 3_656
Na1 O16 Na12 137.87(16) . 3_656
S5 O16 Na2 101.19(19) . .
Na4 O16 Na2 132.49(16) 3_656 .
Na1 O16 Na2 79.30(11) . .
Na12 O16 Na2 84.62(13) 3_656 .
S5 O17 Na10 128.89(16) . 2_656
S5 O17 Na10 128.89(16) . 3_656
Na10 O17 Na10 96.7(2) 2_656 3_656
S5 O17 Na6 107.1(4) . .
Na10 O17 Na6 91.34(18) 2_656 .
Na10 O17 Na6 91.34(18) 3_656 .
S5 O18 Na11 130.87(18) . 4_565
S5 O18 Na11 130.87(18) . .
Na11 O18 Na11 92.9(2) 4_565 .
S5 O18 Na6 92.0(4) . .
Na11 O18 Na6 76.21(19) 4_565 .
Na11 O18 Na6 76.21(19) . .
S5 O18 Na12 91.9(3) . 3_656
Na11 O18 Na12 127.2(3) 4_565 3_656
Na11 O18 Na12 71.69(13) . 3_656
Na6 O18 Na12 140.48(10) . 3_656
S5 O18 Na12 91.9(3) . 2_656
Na11 O18 Na12 71.69(13) 4_565 2_656
Na11 O18 Na12 127.2(3) . 2_656
Na6 O18 Na12 140.48(10) . 2_656
Na12 O18 Na12 78.6(2) 3_656 2_656
Na2 F1 Na1 96.65(12) . 2_656
Na2 F1 Na1 96.65(12) . .
Na1 F1 Na1 96.26(13) 2_656 .
Na2 F1 Na4 174.6(2) . .
Na1 F1 Na4 86.91(12) 2_656 .
Na1 F1 Na4 86.91(12) . .
Na2 F1 Na10 85.70(13) . .
Na1 F1 Na10 172.49(14) 2_656 .
Na1 F1 Na10 90.53(5) . .
Na4 F1 Na10 90.27(13) . .
Na2 F1 Na10 85.70(13) . 4_565
Na1 F1 Na10 90.53(5) 2_656 4_565
Na1 F1 Na10 172.49(14) . 4_565
Na4 F1 Na10 90.27(13) . 4_565
Na10 F1 Na10 82.51(14) . 4_565
Na6 F2 Na10 100.74(14) 1_554 4_565
Na6 F2 Na10 100.74(14) 1_554 .
Na10 F2 Na10 89.45(16) 4_565 .
Na6 F2 Na9 90.08(14) 1_554 .
Na10 F2 Na9 168.7(2) 4_565 .
Na10 F2 Na9 91.91(7) . .
Na6 F2 Na9 90.08(14) 1_554 4_565
Na10 F2 Na9 91.91(7) 4_565 4_565
Na10 F2 Na9 168.7(2) . 4_565
Na9 F2 Na9 84.58(15) . 4_565
Na6 F2 Na2 176.2(2) 1_554 .
Na10 F2 Na2 81.91(13) 4_565 .
Na10 F2 Na2 81.91(13) . .
Na9 F2 Na2 87.13(13) . .
Na9 F2 Na2 87.13(13) 4_565 .
Na3 F3 Na11 105.57(14) . .
Na3 F3 Na11 105.57(14) . 4_565
Na11 F3 Na11 97.56(16) . 4_565
Na3 F3 Na9 91.27(13) . 4_566
Na11 F3 Na9 159.98(19) . 4_566
Na11 F3 Na9 87.99(7) 4_565 4_566
Na3 F3 Na9 91.27(13) . 1_556
Na11 F3 Na9 87.99(7) . 1_556
Na11 F3 Na9 159.98(19) 4_565 1_556
Na9 F3 Na9 80.77(15) 4_566 1_556
Na3 F3 Na6 166.93(19) . .
Na11 F3 Na6 82.80(12) . .
Na11 F3 Na6 82.80(12) 4_565 .
Na9 F3 Na6 78.83(12) 4_566 .
Na9 F3 Na6 78.83(12) 1_556 .
Na7 F4 Na7 103.00(14) 2_656 1_656
Na7 F4 Na3 97.30(12) 2_656 1_655
Na7 F4 Na3 97.30(12) 1_656 1_655
Na7 F4 Na5 92.87(11) 2_656 .
Na7 F4 Na5 92.87(11) 1_656 .
Na3 F4 Na5 163.61(19) 1_655 .
Na7 F4 Na13 168.58(14) 2_656 .
Na7 F4 Na13 87.84(5) 1_656 .
Na3 F4 Na13 84.69(12) 1_655 .
Na5 F4 Na13 82.88(12) . .
Na7 F4 Na13 87.84(5) 2_656 4_565
Na7 F4 Na13 168.58(14) 1_656 4_565
Na3 F4 Na13 84.69(12) 1_655 4_565
Na5 F4 Na13 82.88(12) . 4_565
Na13 F4 Na13 81.14(14) . 4_565
Na4 F5 Na11 106.39(13) . 3_656
Na4 F5 Na11 106.39(13) . 2_656
Na11 F5 Na11 97.21(16) 3_656 2_656
Na4 F5 Na12 89.73(13) . 4_565
Na11 F5 Na12 161.73(19) 3_656 4_565
Na11 F5 Na12 86.09(7) 2_656 4_565
Na4 F5 Na12 89.73(13) . .
Na11 F5 Na12 86.09(7) 3_656 .
Na11 F5 Na12 161.73(19) 2_656 .
Na12 F5 Na12 85.44(15) 4_565 .
Na4 F5 Na8 168.82(19) . .
Na11 F5 Na8 80.74(12) 3_656 .
Na11 F5 Na8 80.74(12) 2_656 .
Na12 F5 Na8 82.08(12) 4_565 .
Na12 F5 Na8 82.08(12) . .
Na8 F6 Na13 94.55(13) . 4_565
Na8 F6 Na13 94.55(12) . .
Na13 F6 Na13 86.61(15) 4_565 .
Na8 F6 Na5 178.0(2) . .
Na13 F6 Na5 86.93(12) 4_565 .
Na13 F6 Na5 86.93(12) . .
Na8 F6 Na12 87.93(12) . .
Na13 F6 Na12 177.11(16) 4_565 .
Na13 F6 Na12 94.68(7) . .
Na5 F6 Na12 90.55(12) . .
Na8 F6 Na12 87.93(12) . 4_565
Na13 F6 Na12 94.68(7) 4_565 4_565
Na13 F6 Na12 177.11(16) . 4_565
Na5 F6 Na12 90.55(12) . 4_565
Na12 F6 Na12 83.92(15) . 4_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Na1 F1 2.336(2) 3_656
Na1 F1 2.336(2) .
Na1 O11 2.348(4) 3_656
Na1 O11 2.348(4) .
Na1 O16 2.492(4) .
Na1 O16 2.492(4) 3_656
Na1 Na4 3.225(2) .
Na1 Na4 3.225(2) 3_656
Na1 Na10 3.3993(19) 3_656
Na1 Na10 3.3993(19) .
Na1 Na2 3.416(3) 3_656
Na1 Na2 3.416(3) .
Na2 F1 2.236(5) .
Na2 O9 2.416(6) .
Na2 O3 2.435(4) 3_656
Na2 O3 2.435(4) 2_656
Na2 F2 2.562(5) .
Na2 O16 2.844(5) 4_565
Na2 O16 2.844(5) .
Na2 O5 2.986(6) .
Na2 Na10 3.189(3) 4_565
Na2 Na10 3.189(3) .
Na2 S1 3.261(3) .
Na2 Na9 3.363(3) .
Na3 F3 2.233(4) .
Na3 F4 2.297(4) 1_455
Na3 O13 2.366(4) 3_656
Na3 O13 2.366(4) 2_656
Na3 O5 2.565(5) 1_556
Na3 O8 2.568(5) .
Na3 Na13 3.185(3) 1_455
Na3 Na13 3.185(3) 4_465
Na3 Na9 3.314(3) 4_566
Na3 Na9 3.314(3) 1_556
Na3 Na7 3.393(2) 1_556
Na3 Na7 3.393(2) 2_556
Na4 F5 2.312(5) .
Na4 F1 2.353(5) .
Na4 O6 2.380(6) .
Na4 O16 2.406(4) 2_656
Na4 O16 2.406(4) 3_656
Na4 O11 2.521(6) .
Na4 Na1 3.225(2) 2_656
Na4 Na12 3.282(3) 4_565
Na4 Na12 3.282(3) .
Na4 S3 3.356(3) .
Na4 Na10 3.403(3) .
Na5 F6 2.320(4) .
Na5 O1 2.360(3) 2_656
Na5 O1 2.360(3) 3_656
Na5 F4 2.375(4) .
Na5 O7 2.455(6) .
Na5 O14 2.472(5) 1_556
Na5 Na13 3.180(3) 4_565
Na5 Na13 3.180(3) .
Na5 Na7 3.333(2) 2_656
Na5 Na7 3.333(2) 1_656
Na5 Na12 3.335(3) .
Na5 Na12 3.335(3) 4_565
Na6 F2 2.238(5) 1_556
Na6 O2 2.377(4) 3_656
Na6 O2 2.377(4) 2_656
Na6 O10 2.482(6) .
Na6 O17 2.568(8) .
Na6 F3 2.660(5) .
Na6 O18 2.906(8) .
Na6 Na9 3.219(3) 1_556
Na6 Na9 3.219(3) 4_566
Na6 Na11 3.294(3) .
Na6 Na11 3.294(3) 4_565
Na6 S5 3.295(3) .
Na7 F4 2.223(2) 3_656
Na7 F4 2.223(2) 1_454
Na7 O13 2.441(4) 3_655
Na7 O13 2.441(4) 1_455
Na7 O1 2.476(3) .
Na7 O1 2.476(3) 3
Na7 Na13 3.2304(19) 3_656
Na7 Na13 3.2304(19) 1_454
Na7 Na5 3.333(2) 1_454
Na7 Na5 3.333(2) 3_656
Na7 Na3 3.393(2) 1_554
Na7 Na3 3.393(2) 3_556
Na8 F6 2.288(4) .
Na8 O4 2.333(3) 3_656
Na8 O4 2.333(3) 2_656
Na8 O15 2.399(6) .
Na8 O12 2.434(6) 1_655
Na8 F5 2.583(5) .
Na8 Na11 3.187(3) 3_656
Na8 Na11 3.187(3) 2_656
Na8 Na12 3.238(3) .
Na8 Na12 3.238(3) 4_565
Na8 S4 3.322(3) 1_655
Na8 Na13 3.374(3) 4_565
Na9 O3 2.298(4) 3_656
Na9 F2 2.311(3) .
Na9 O2 2.360(4) 3_655
Na9 O5 2.377(4) .
Na9 F3 2.400(3) 1_554
Na9 O14 2.443(3) 3_655
Na9 Na9 3.110(4) 4_565
Na9 Na6 3.219(3) 1_554
Na9 Na11 3.268(3) 1_554
Na9 Na10 3.310(3) .
Na9 Na3 3.314(3) 1_554
Na9 S6 3.339(2) 3_655
Na10 F2 2.294(3) .
Na10 O6 2.381(4) .
Na10 O3 2.392(4) 3_656
Na10 F1 2.448(3) .
Na10 O17 2.495(4) 3_656
Na10 O10 2.538(4) 3_656
Na10 Na10 3.228(4) 4_565
Na10 S3 3.365(2) 3_656
Na11 F3 2.304(3) .
Na11 F5 2.327(3) 3_656
Na11 O2 2.389(4) 3_656
Na11 O18 2.391(4) .
Na11 O15 2.416(4) 3_656
Na11 O4 2.470(4) .
Na11 Na12 3.186(3) 3_656
Na11 Na8 3.187(3) 3_656
Na11 Na9 3.268(3) 1_556
Na11 Na11 3.466(4) 4_565
Na11 Na11 3.491(4) 4
Na12 F5 2.340(3) .
Na12 F6 2.374(3) .
Na12 O7 2.383(4) .
Na12 O9 2.408(3) 3_656
Na12 O4 2.423(3) 3_656
Na12 O16 2.666(4) 3_656
Na12 O18 2.986(7) 3_656
Na12 Na12 3.175(4) 4_565
Na12 Na11 3.186(3) 3_656
Na13 F6 2.304(3) .
Na13 O1 2.358(4) 3_656
Na13 O8 2.391(4) 1_655
Na13 O13 2.413(4) 3_756
Na13 F4 2.430(3) .
Na13 O12 2.438(4) 3_656
Na13 Na13 3.160(4) 4_565
Na13 Na3 3.185(3) 1_655
Na13 Na7 3.2304(19) 1_656
Na13 S4 3.343(2) 3_656
S1 O5 1.463(4) .
S1 O1 1.470(3) .
S1 O1 1.470(3) 4_565
S1 O9 1.479(5) .
S1 Na12 3.380(2) 2_656
S1 Na12 3.380(2) 3_656
S2 O10 1.464(5) 1_554
S2 O6 1.471(5) .
S2 O2 1.477(3) 4_565
S2 O2 1.477(3) .
S3 O7 1.456(5) .
S3 O11 1.465(5) .
S3 O3 1.473(3) 4_565
S3 O3 1.473(3) .
S3 Na10 3.365(2) 3_656
S3 Na10 3.365(2) 2_656
S4 O8 1.461(4) .
S4 O4 1.471(3) 4_565
S4 O4 1.471(3) .
S4 O12 1.487(5) .
S4 Na8 3.322(3) 1_455
S4 Na13 3.343(2) 3_656
S4 Na13 3.343(2) 2_656
S5 O17 1.443(6) .
S5 O18 1.455(6) .
S5 O16 1.474(4) .
S5 O16 1.474(4) 4_565
S5 Na12 3.365(2) 3_656
S5 Na12 3.365(2) 2_656
S6 O13 1.464(4) 4_565
S6 O13 1.464(4) .
S6 O15 1.469(5) .
S6 O14 1.489(5) .
S6 Na9 3.339(2) 3_655
S6 Na9 3.339(2) 2_655
O1 Na13 2.358(4) 3_656
O1 Na5 2.360(3) 3_656
O2 Na9 2.360(4) 3_655
O2 Na6 2.377(4) 3_656
O2 Na11 2.389(4) 3_656
O3 Na9 2.298(4) 3_656
O3 Na10 2.392(4) 3_656
O3 Na2 2.435(4) 3_656
O4 Na8 2.333(3) 3_656
O4 Na12 2.423(3) 3_656
O5 Na9 2.377(4) 4_565
O5 Na3 2.565(5) 1_554
O6 Na10 2.381(4) 4_565
O7 Na12 2.383(4) 4_565
O8 Na13 2.391(4) 1_455
O8 Na13 2.391(4) 4_465
O9 Na12 2.408(3) 2_656
O9 Na12 2.408(3) 3_656
O10 S2 1.464(5) 1_556
O10 Na10 2.538(4) 3_656
O10 Na10 2.538(4) 2_656
O11 Na1 2.348(4) 2_656
O12 Na8 2.434(6) 1_455
O12 Na13 2.438(4) 3_656
O12 Na13 2.438(4) 2_656
O13 Na3 2.366(4) 3_656
O13 Na13 2.413(4) 3_756
O13 Na7 2.441(4) 1_655
O14 Na9 2.443(3) 3_655
O14 Na9 2.443(3) 2_655
O14 Na5 2.472(5) 1_554
O15 Na11 2.416(4) 3_656
O15 Na11 2.416(4) 2_656
O16 Na4 2.406(4) 3_656
O16 Na12 2.666(4) 3_656
O17 Na10 2.495(4) 2_656
O17 Na10 2.495(4) 3_656
O18 Na11 2.391(4) 4_565
O18 Na12 2.986(7) 3_656
O18 Na12 2.986(7) 2_656
F1 Na1 2.336(2) 2_656
F1 Na10 2.448(3) 4_565
F2 Na6 2.238(5) 1_554
F2 Na10 2.294(3) 4_565
F2 Na9 2.311(3) 4_565
F3 Na11 2.304(3) 4_565
F3 Na9 2.400(3) 4_566
F3 Na9 2.400(3) 1_556
F4 Na7 2.223(2) 2_656
F4 Na7 2.223(2) 1_656
F4 Na3 2.297(4) 1_655
F4 Na13 2.430(3) 4_565
F5 Na11 2.327(3) 3_656
F5 Na11 2.327(3) 2_656
F5 Na12 2.340(3) 4_565
F6 Na13 2.304(3) 4_565
F6 Na12 2.374(3) 4_565
