#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/27/4342749.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_4342749
loop_
_publ_author_name
'Winter, Ross S.'
'Long, De-Liang'
'Cronin, Leroy'
_publ_section_title
;
 Synthesis and Characterization of a Series of [M2(β-SiW8O31)2](n-)
 Clusters and Mechanistic Insight into the Reorganization of {β-SiW8O31}
 into {α-SiW9O34}.
;
_journal_issue                   8
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4151
_journal_page_last               4155
_journal_paper_doi               10.1021/acs.inorgchem.5b00405
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Fe2 H85 Na13 O104 Si2 W16'
_chemical_formula_weight         5158.02
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                110.929(2)
_cell_angle_beta                 93.479(2)
_cell_angle_gamma                108.658(2)
_cell_formula_units_Z            1
_cell_length_a                   11.8707(5)
_cell_length_b                   13.4005(6)
_cell_length_c                   16.7965(7)
_cell_measurement_reflns_used    9967
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.1
_cell_measurement_theta_min      2.48
_cell_volume                     2317.77(18)
_computing_cell_refinement       Apex2
_computing_data_collection       Apex2
_computing_data_reduction        Apex2
_computing_molecular_graphics    Diamond3
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex II Quasar'
_diffrn_measurement_method       'ω & π scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34898
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         1.749
_diffrn_source                   '1uS Microfocus x-ray'
_exptl_absorpt_coefficient_mu    20.284
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.291
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    3.695
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             2324
_exptl_crystal_size_max          0.191
_exptl_crystal_size_mid          0.039
_exptl_crystal_size_min          0.027
_refine_diff_density_max         2.64
_refine_diff_density_min         -2.16
_refine_diff_density_rms         0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         9108
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0296P)²+30.6083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0668
_refine_ls_wR_factor_ref         0.0704
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8093
_reflns_number_total             9108
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            Fe2W16.cif
_cod_data_source_block           rw930c1
_cod_depositor_comments
;Adding full bibliography for 4342749--4342755.cif.

The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'direct methods' was changed to
'direct'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        2317.76(18)
_cod_database_code               4342749
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.113
_shelx_estimated_absorpt_t_max   0.610
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.2647(2) 0.3812(2) 0.14135(16) 0.0199(3) Uani 0.798(12) 1 d D P A 1
W2 W 0.5834(3) 0.5608(3) 0.2527(2) 0.0155(3) Uani 0.798(12) 1 d D P A 1
W3 W 0.5283(2) 0.2862(2) 0.13164(14) 0.0196(3) Uani 0.798(12) 1 d D P A 1
W1' W 0.2433(8) 0.3984(6) 0.1573(5) 0.0158(10) Uani 0.202(12) 1 d D P A 2
W2' W 0.5698(10) 0.5786(8) 0.2595(7) 0.0103(10) Uani 0.202(12) 1 d D P A 2
W3' W 0.5086(9) 0.3031(6) 0.1289(5) 0.0112(10) Uani 0.202(12) 1 d D P A 2
W4 W 0.71567(3) 0.42332(3) 0.32829(2) 0.01686(8) Uani 1 1 d . . A 1
W5 W 0.53610(3) 0.19444(3) 0.39372(2) 0.01606(7) Uani 1 1 d . . A 1
W6 W 0.23756(3) 0.12378(2) 0.37723(2) 0.01385(7) Uani 1 1 d . . A 1
W7 W 0.34559(3) 0.05970(3) 0.19565(2) 0.01997(8) Uani 1 1 d . . A 1
W8 W 0.10290(3) 0.18504(3) 0.20478(2) 0.01860(8) Uani 1 1 d . . A 1
Fe1 Fe 0.57464(9) 0.59423(8) 0.47293(6) 0.0110(2) Uani 1 1 d . . A 1
Na1 Na 1.0780(3) 0.4727(3) 0.3543(3) 0.0349(8) Uani 1 1 d . . A 1
Na2 Na 1.2190(3) 0.7532(3) 0.4192(3) 0.0327(8) Uani 1 1 d . . A 1
Na3 Na 0.7422(3) 0.0177(4) 0.3748(3) 0.0420(10) Uani 1 1 d . . A 1
Na4 Na 0.0863(6) 0.2919(5) -0.0929(4) 0.0593(19) Uani 0.75 1 d . P A 1
Na5 Na -0.1505(6) 0.2410(5) -0.0328(4) 0.0457(15) Uani 0.7 1 d . P A 1
Na6 Na 0.6379(12) 0.4761(12) 0.0178(9) 0.052(3) Uiso 0.35 1 d . P A 1
Na7 Na 0.2456(14) -0.1129(13) -0.0213(10) 0.050(4) Uiso 0.3 1 d . P A 1
Na8 Na 0.405(2) -0.237(2) 0.0899(16) 0.055(6) Uiso 0.2 1 d . P A 1
Na8' Na 0.5571(16) -0.2589(15) 0.1248(12) 0.062(4) Uiso 0.3 1 d . P B 3
Na9 Na 0.7358(18) -0.0436(18) 0.1573(13) 0.040(5) Uiso 0.2 1 d . P C 2
Na10 Na 0.8738(5) -0.2401(5) 0.4161(4) 0.0441(14) Uani 0.7 1 d . P A 1
Si1 Si 0.39959(17) 0.35071(17) 0.31891(13) 0.0122(4) Uani 1 1 d . . A 1
O1 O 0.2521(7) 0.3905(7) 0.0424(5) 0.051(2) Uani 1 1 d . . A 1
O2 O 0.1728(6) 0.4625(6) 0.1922(5) 0.0406(18) Uani 1 1 d . . A 1
O3 O 0.4115(5) 0.5114(5) 0.2073(4) 0.0295(14) Uani 1 1 d . . A 1
O4 O 0.3716(5) 0.2869(5) 0.1095(4) 0.0278(14) Uani 1 1 d . . A 1
O5 O 0.5854(6) 0.4456(5) 0.1433(4) 0.0322(15) Uani 1 1 d . . A 1
O6 O 0.6358(6) 0.6835(5) 0.2307(4) 0.0316(15) Uani 1 1 d . . A 1
O7 O 0.7304(5) 0.5497(5) 0.2913(4) 0.0211(12) Uani 1 1 d . . A 1
O8 O 0.5533(7) 0.2238(6) 0.0296(4) 0.048(2) Uani 1 1 d . . A 1
O9 O 0.6804(5) 0.3284(5) 0.2035(4) 0.0267(13) Uani 1 1 d . . A 1
O10 O 0.6854(4) 0.5086(4) 0.4300(3) 0.0155(11) Uani 1 1 d . . A 1
O11 O 0.8677(5) 0.4478(5) 0.3522(4) 0.0277(14) Uani 1 1 d . . A 1
O12 O 0.6500(5) 0.2858(5) 0.3473(4) 0.0200(12) Uani 1 1 d . . A 1
O13 O 0.5354(4) 0.3204(4) 0.4826(3) 0.0156(11) Uani 1 1 d . . A 1
O14 O 0.6322(5) 0.1474(5) 0.4396(4) 0.0267(13) Uani 1 1 d . . A 1
O15 O 0.4799(5) 0.0722(4) 0.2779(4) 0.0232(13) Uani 1 1 d . . A 1
O16 O 0.3831(5) 0.1054(4) 0.4167(4) 0.0185(11) Uani 1 1 d . . A 1
O17 O 0.2822(4) 0.2633(4) 0.4676(3) 0.0139(10) Uani 1 1 d . . A 1
O18 O 0.1294(5) 0.0374(4) 0.4127(4) 0.0192(12) Uani 1 1 d . . A 1
O19 O 0.2423(5) 0.0079(4) 0.2678(4) 0.0203(12) Uani 1 1 d . . A 1
O20 O 0.3239(6) -0.0705(5) 0.1132(4) 0.0328(15) Uani 1 1 d . . A 1
O21 O 0.2296(5) 0.1053(5) 0.1603(4) 0.0239(12) Uani 1 1 d . . A 1
O22 O 0.1384(5) 0.1629(5) 0.3089(4) 0.0189(11) Uani 1 1 d . . A 1
O23 O 0.0220(5) 0.2736(5) 0.2505(4) 0.0224(12) Uani 1 1 d . . A 1
O24 O 0.1354(5) 0.2353(5) 0.1119(4) 0.0260(13) Uani 1 1 d . . A 1
O25 O -0.0147(5) 0.0546(5) 0.1431(4) 0.0288(14) Uani 1 1 d . . A 1
O26 O 0.5621(5) 0.6244(5) 0.3660(4) 0.0190(11) Uani 1 1 d . . A 1
O27 O 0.4286(4) 0.4442(4) 0.4191(3) 0.0128(10) Uani 1 1 d . . A 1
O28 O 0.3866(4) 0.2251(4) 0.3207(3) 0.0140(10) Uani 1 1 d . . A 1
O29 O 0.5167(5) 0.3912(4) 0.2742(3) 0.0175(11) Uani 1 1 d . . A 1
O30 O 0.2782(5) 0.3371(5) 0.2598(3) 0.0195(12) Uani 1 1 d . . A 1
O31 O 0.4678(5) 0.1571(5) 0.1580(4) 0.0253(13) Uani 1 1 d . . A 1
O32 O 1.1050(5) 0.3731(5) 0.4401(4) 0.0266(13) Uani 1 1 d . . A 1
O33 O 1.1054(5) 0.6364(5) 0.4901(4) 0.0316(14) Uani 1 1 d . . A 1
O34 O 1.2866(5) 0.5999(6) 0.3733(4) 0.0316(15) Uani 1 1 d . . A 1
O35 O 1.0779(7) 0.6216(7) 0.2756(6) 0.062(2) Uani 1 1 d . . A 1
O36 O 1.1224(5) 0.8794(6) 0.4830(5) 0.0362(16) Uani 1 1 d . . A 1
O37 O 0.8090(8) 0.1471(8) 0.2985(7) 0.074(3) Uani 1 1 d . . A 1
O38 O 0.5926(8) -0.0845(7) 0.2361(6) 0.059(2) Uani 1 1 d . . A 1
O39 O -0.0294(8) 0.1471(6) -0.0382(5) 0.060(2) Uani 1 1 d . . A 1
O40 O 0.8764(6) -0.0840(6) 0.3427(5) 0.0456(18) Uani 1 1 d . . A 1
O41 O 0.5983(5) -0.1289(5) 0.4127(4) 0.0299(14) Uani 1 1 d . . A 1
O42 O 0.3689(8) -0.2883(8) 0.2039(7) 0.070(3) Uani 1 1 d . . A 1
O43 O 0.0204(9) 0.4194(8) 0.0256(7) 0.072(3) Uani 1 1 d . . A 1
O44 O -0.1055(8) 0.2261(7) -0.1818(6) 0.063(2) Uani 1 1 d . . A 1
O45 O 0.1477(8) 0.4450(8) -0.1427(7) 0.072(3) Uani 1 1 d . . A 1
O47 O 0.2317(7) 0.0572(7) -0.0239(5) 0.055(2) Uani 1 1 d . . A 1
O48 O 1.3635(6) 0.8685(6) 0.3641(5) 0.0408(18) Uani 1 1 d . . A 1
O49 O -0.2683(12) 0.3476(11) -0.0333(9) 0.064(4) Uani 0.7 1 d . P A 1
O50 O 0.5100(17) 0.4415(16) -0.0234(13) 0.047(5) Uiso 0.4 1 d . P A 1
O51 O 0.1534(14) 0.1453(14) -0.1697(11) 0.052(4) Uiso 0.5 1 d . P A 1
O52 O 0.4376(8) -0.0055(7) -0.0281(6) 0.033(2) Uiso 0.75 1 d . P A 1
O53 O -0.1531(13) 0.2663(13) 0.1200(9) 0.047(3) Uiso 0.6 1 d . P A 1
O54 O 0.6407(13) -0.1169(13) 0.1047(10) 0.059(4) Uiso 0.6 1 d . P A 1
O55 O 0.567(2) -0.318(2) 0.0662(17) 0.043(6) Uiso 0.3 1 d . P A 1
O52' O 0.5000 0.0000 0.0000 0.029(7) Uiso 0.3 2 d S P D 2
O53' O -0.1194(15) 0.3170(16) 0.1266(11) 0.028(4) Uiso 0.4 1 d . P E 2
O55' O 0.6437(14) -0.2302(13) 0.0859(10) 0.061(4) Uiso 0.6 1 d . P C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
O O 0.0106 0.0060 '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'
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
O1 W1 O2 99.6(4) . .
O1 W1 O24 99.1(3) . .
O2 W1 O24 93.1(3) . .
O1 W1 O3 102.2(3) . .
O2 W1 O3 90.5(3) . .
O24 W1 O3 157.5(3) . .
O1 W1 O4 92.8(4) . .
O2 W1 O4 167.5(3) . .
O24 W1 O4 84.8(3) . .
O3 W1 O4 86.9(3) . .
O1 W1 O30 170.1(4) . .
O2 W1 O30 87.9(3) . .
O24 W1 O30 74.0(2) . .
O3 W1 O30 83.9(2) . .
O4 W1 O30 79.7(2) . .
O6 W2 O26 100.3(3) . .
O6 W2 O7 101.7(3) . .
O26 W2 O7 91.8(3) . .
O6 W2 O5 100.3(3) . .
O26 W2 O5 159.4(3) . .
O7 W2 O5 83.8(3) . .
O6 W2 O3 99.0(3) . .
O26 W2 O3 91.4(3) . .
O7 W2 O3 158.1(3) . .
O5 W2 O3 85.6(3) . .
O6 W2 O29 176.5(3) . .
O26 W2 O29 83.2(2) . .
O7 W2 O29 77.4(2) . .
O5 W2 O29 76.2(2) . .
O3 W2 O29 81.5(2) . .
O8 W3 O31 100.2(3) . .
O8 W3 O4 102.8(4) . .
O31 W3 O4 91.1(3) . .
O8 W3 O9 102.5(3) . .
O31 W3 O9 89.2(3) . .
O4 W3 O9 154.2(3) . .
O8 W3 O5 98.7(3) . .
O31 W3 O5 161.1(3) . .
O4 W3 O5 85.7(3) . .
O9 W3 O5 85.7(3) . .
O8 W3 O29 172.7(3) . .
O31 W3 O29 85.6(2) . .
O4 W3 O29 81.3(2) . .
O9 W3 O29 73.0(2) . .
O5 W3 O29 75.5(2) . .
O8 W3 Na6 63.5(3) . .
O31 W3 Na6 163.4(3) . .
O4 W3 Na6 90.1(3) . .
O9 W3 Na6 96.7(3) . .
O5 W3 Na6 35.4(3) . .
O29 W3 Na6 110.9(3) . .
O8 W3 Na8 17.3(5) . 2_655
O31 W3 Na8 117.1(4) . 2_655
O4 W3 Na8 98.0(4) . 2_655
O9 W3 Na8 104.7(4) . 2_655
O5 W3 Na8 81.8(4) . 2_655
O29 W3 Na8 157.3(4) . 2_655
Na6 W3 Na8 46.4(4) . 2_655
O11 W4 O10 103.9(3) . .
O11 W4 O12 99.2(3) . .
O10 W4 O12 92.1(2) . .
O11 W4 O9 99.7(3) . .
O10 W4 O9 156.0(2) . .
O12 W4 O9 88.3(2) . .
O11 W4 O7 98.2(3) . .
O10 W4 O7 87.9(2) . .
O12 W4 O7 162.1(2) . .
O9 W4 O7 84.6(2) . .
O11 W4 O29 170.6(2) . .
O10 W4 O29 83.5(2) . .
O12 W4 O29 86.2(2) . .
O9 W4 O29 72.6(2) . .
O7 W4 O29 76.0(2) . .
O14 W5 O13 104.3(3) . .
O14 W5 O12 99.1(3) . .
O13 W5 O12 92.3(2) . .
O14 W5 O15 100.0(3) . .
O13 W5 O15 155.2(2) . .
O12 W5 O15 88.4(2) . .
O14 W5 O16 98.1(2) . .
O13 W5 O16 88.0(2) . .
O12 W5 O16 162.2(2) . .
O15 W5 O16 83.9(2) . .
O14 W5 O28 170.4(2) . .
O13 W5 O28 82.9(2) . .
O12 W5 O28 86.9(2) . .
O15 W5 O28 72.4(2) . .
O16 W5 O28 75.50(19) . .
O18 W6 O17 101.9(2) . .
O18 W6 O22 101.1(2) . .
O17 W6 O22 92.4(2) . .
O18 W6 O16 101.8(2) . .
O17 W6 O16 90.3(2) . .
O22 W6 O16 155.9(2) . .
O18 W6 O19 99.5(2) . .
O17 W6 O19 158.3(2) . .
O22 W6 O19 86.7(2) . .
O16 W6 O19 82.1(2) . .
O18 W6 O28 174.6(2) . .
O17 W6 O28 83.1(2) . .
O22 W6 O28 80.6(2) . .
O16 W6 O28 75.87(19) . .
O19 W6 O28 75.4(2) . .
O20 W7 O21 104.8(3) . .
O20 W7 O19 99.8(3) . .
O21 W7 O19 88.0(2) . .
O20 W7 O31 98.6(3) . .
O21 W7 O31 91.9(3) . .
O19 W7 O31 161.0(2) . .
O20 W7 O15 100.4(3) . .
O21 W7 O15 154.8(2) . .
O19 W7 O15 85.8(2) . .
O31 W7 O15 86.2(2) . .
O20 W7 O28 171.4(3) . .
O21 W7 O28 82.9(2) . .
O19 W7 O28 76.2(2) . .
O31 W7 O28 85.0(2) . .
O15 W7 O28 71.86(19) . .
O20 W7 Na7 32.8(3) . .
O21 W7 Na7 75.6(3) . .
O19 W7 Na7 113.4(3) . .
O31 W7 Na7 84.9(3) . .
O15 W7 Na7 129.2(3) . .
O28 W7 Na7 155.8(3) . .
O25 W8 O23 101.6(3) . .
O25 W8 O22 100.7(3) . .
O23 W8 O22 94.1(2) . .
O25 W8 O24 97.1(3) . .
O23 W8 O24 95.8(3) . .
O22 W8 O24 157.4(2) . .
O25 W8 O21 88.8(3) . .
O23 W8 O21 169.6(2) . .
O22 W8 O21 84.7(2) . .
O24 W8 O21 81.9(2) . .
O25 W8 O30 166.4(3) . .
O23 W8 O30 90.4(2) . .
O22 W8 O30 84.8(2) . .
O24 W8 O30 74.9(2) . .
O21 W8 O30 79.2(2) . .
O17 Fe1 O26 91.9(2) 2_666 .
O17 Fe1 O13 90.4(2) 2_666 2_666
O26 Fe1 O13 89.6(2) . 2_666
O17 Fe1 O10 89.4(2) 2_666 .
O26 Fe1 O10 91.2(2) . .
O13 Fe1 O10 179.2(2) 2_666 .
O17 Fe1 O27 175.8(2) 2_666 .
O26 Fe1 O27 92.3(2) . .
O13 Fe1 O27 90.1(2) 2_666 .
O10 Fe1 O27 90.0(2) . .
O17 Fe1 O27 92.4(2) 2_666 2_666
O26 Fe1 O27 175.0(2) . 2_666
O13 Fe1 O27 87.8(2) 2_666 2_666
O10 Fe1 O27 91.4(2) . 2_666
O27 Fe1 O27 83.5(2) . 2_666
O32 Na1 O11 100.8(3) . .
O32 Na1 O34 100.9(2) . .
O11 Na1 O34 148.8(3) . .
O32 Na1 O33 87.4(2) . .
O11 Na1 O33 82.2(2) . .
O34 Na1 O33 76.7(2) . .
O32 Na1 O23 75.4(2) . 1_655
O11 Na1 O23 90.9(2) . 1_655
O34 Na1 O23 116.1(2) . 1_655
O33 Na1 O23 160.0(3) . 1_655
O32 Na1 O35 170.1(3) . .
O11 Na1 O35 84.4(2) . .
O34 Na1 O35 71.2(2) . .
O33 Na1 O35 85.0(3) . .
O23 Na1 O35 113.2(3) 1_655 .
O32 Na1 O2 126.3(2) . 1_655
O11 Na1 O2 118.2(2) . 1_655
O34 Na1 O2 63.6(2) . 1_655
O33 Na1 O2 130.8(2) . 1_655
O23 Na1 O2 68.9(2) 1_655 1_655
O35 Na1 O2 56.3(2) . 1_655
O32 Na1 Na2 122.3(2) . .
O11 Na1 Na2 104.12(19) . .
O34 Na1 Na2 44.88(16) . .
O33 Na1 Na2 46.84(17) . .
O23 Na1 Na2 152.8(2) 1_655 .
O35 Na1 Na2 47.9(2) . .
O2 Na1 Na2 83.98(17) 1_655 .
O36 Na2 O34 165.4(3) . .
O36 Na2 O48 99.5(3) . .
O34 Na2 O48 95.0(3) . .
O36 Na2 O33 86.1(2) . .
O34 Na2 O33 79.2(2) . .
O48 Na2 O33 169.3(3) . .
O36 Na2 O14 86.0(2) . 2_766
O34 Na2 O14 92.5(2) . 2_766
O48 Na2 O14 87.4(3) . 2_766
O33 Na2 O14 83.9(2) . 2_766
O36 Na2 O35 103.0(3) . .
O34 Na2 O35 77.5(3) . .
O48 Na2 O35 96.4(3) . .
O33 Na2 O35 91.2(3) . .
O14 Na2 O35 169.5(3) 2_766 .
O36 Na2 Na1 120.9(2) . .
O34 Na2 Na1 47.45(18) . .
O48 Na2 Na1 133.1(2) . .
O33 Na2 Na1 47.56(18) . .
O14 Na2 Na1 116.17(19) 2_766 .
O35 Na2 Na1 54.6(2) . .
O36 Na2 Na3 42.24(19) . 2_766
O34 Na2 Na3 134.1(2) . 2_766
O48 Na2 Na3 95.4(2) . 2_766
O33 Na2 Na3 82.6(2) . 2_766
O14 Na2 Na3 43.71(15) 2_766 2_766
O35 Na2 Na3 144.8(2) . 2_766
Na1 Na2 Na3 130.10(15) . 2_766
O36 Na2 Na10 40.49(19) . 1_565
O34 Na2 Na10 131.2(2) . 1_565
O48 Na2 Na10 120.7(2) . 1_565
O33 Na2 Na10 69.29(18) . 1_565
O14 Na2 Na10 119.0(2) 2_766 1_565
O35 Na2 Na10 67.3(2) . 1_565
Na1 Na2 Na10 84.17(13) . 1_565
Na3 Na2 Na10 78.24(12) 2_766 1_565
O40 Na3 O36 83.7(3) . 2_766
O40 Na3 O41 93.1(3) . .
O36 Na3 O41 95.9(3) 2_766 .
O40 Na3 O37 100.6(3) . .
O36 Na3 O37 104.1(3) 2_766 .
O41 Na3 O37 156.7(3) . .
O40 Na3 O38 99.9(3) . .
O36 Na3 O38 175.8(3) 2_766 .
O41 Na3 O38 81.7(3) . .
O37 Na3 O38 77.5(4) . .
O40 Na3 O14 167.6(3) . .
O36 Na3 O14 83.9(2) 2_766 .
O41 Na3 O14 88.4(2) . .
O37 Na3 O14 82.2(3) . .
O38 Na3 O14 92.5(3) . .
O40 Na3 Na2 123.5(2) . 2_766
O36 Na3 Na2 39.88(17) 2_766 2_766
O41 Na3 Na2 93.7(2) . 2_766
O37 Na3 Na2 94.2(3) . 2_766
O38 Na3 Na2 136.5(2) . 2_766
O14 Na3 Na2 44.02(17) . 2_766
O51 Na4 O44 99.7(5) . .
O51 Na4 O45 110.6(5) . .
O44 Na4 O45 87.4(4) . .
O51 Na4 O43 160.4(5) . .
O44 Na4 O43 89.3(4) . .
O45 Na4 O43 87.0(4) . .
O51 Na4 O39 82.5(5) . .
O44 Na4 O39 81.0(3) . .
O45 Na4 O39 163.9(5) . .
O43 Na4 O39 81.8(4) . .
O51 Na4 O1 97.8(5) . .
O44 Na4 O1 159.8(5) . .
O45 Na4 O1 95.9(4) . .
O43 Na4 O1 71.0(3) . .
O39 Na4 O1 91.4(3) . .
O51 Na4 Na5 121.5(5) . .
O44 Na4 Na5 55.1(3) . .
O45 Na4 Na5 118.3(4) . .
O43 Na4 Na5 51.0(3) . .
O39 Na4 Na5 45.6(3) . .
O1 Na4 Na5 106.6(3) . .
O51 Na4 Na6 99.5(5) . 2_665
O44 Na4 Na6 140.8(4) . 2_665
O45 Na4 Na6 53.8(3) . 2_665
O43 Na4 Na6 83.8(3) . 2_665
O39 Na4 Na6 135.4(3) . 2_665
O1 Na4 Na6 44.1(3) . 2_665
Na5 Na4 Na6 134.6(3) . 2_665
O39 Na5 Na7 77.5(5) . 2
O39 Na5 O49 175.3(5) . .
Na7 Na5 O49 107.2(5) 2 .
O39 Na5 O20 93.5(3) . 2
Na7 Na5 O20 56.1(4) 2 2
O49 Na5 O20 88.8(4) . 2
O39 Na5 O43 90.2(4) . .
Na7 Na5 O43 133.9(5) 2 .
O49 Na5 O43 86.8(4) . .
O20 Na5 O43 169.9(4) 2 .
O39 Na5 O53 89.3(4) . .
Na7 Na5 O53 50.4(5) 2 .
O49 Na5 O53 94.2(5) . .
O20 Na5 O53 103.7(5) 2 .
O43 Na5 O53 85.7(5) . .
O39 Na5 O44 83.4(4) . .
Na7 Na5 O44 134.3(5) 2 .
O49 Na5 O44 92.7(4) . .
O20 Na5 O44 84.5(3) 2 .
O43 Na5 O44 86.7(4) . .
O53 Na5 O44 169.4(5) . .
O39 Na5 Na4 54.9(3) . .
Na7 Na5 Na4 132.3(5) 2 .
O49 Na5 Na4 120.5(4) . .
O20 Na5 Na4 122.6(3) 2 .
O43 Na5 Na4 53.1(3) . .
O53 Na5 Na4 119.9(4) . .
O44 Na5 Na4 49.5(3) . .
O39 Na5 Na8 148.6(5) . 2
Na7 Na5 Na8 86.0(6) 2 2
O49 Na5 Na8 33.5(6) . 2
O20 Na5 Na8 55.3(5) 2 2
O43 Na5 Na8 120.0(5) . 2
O53 Na5 Na8 100.7(6) . 2
O44 Na5 Na8 89.5(5) . 2
Na4 Na5 Na8 135.9(5) . 2
O50 Na6 O49 117.6(11) . 1_655
O50 Na6 O50 41.8(12) . 2_665
O49 Na6 O50 158.8(9) 1_655 2_665
O50 Na6 O5 93.2(10) . .
O49 Na6 O5 100.6(6) 1_655 .
O50 Na6 O5 87.5(7) 2_665 .
O50 Na6 O1 103.1(10) . 2_665
O49 Na6 O1 96.3(6) 1_655 2_665
O50 Na6 O1 86.4(7) 2_665 2_665
O5 Na6 O1 147.6(7) . 2_665
O50 Na6 O55 30.4(9) . 2_655
O49 Na6 O55 89.7(8) 1_655 2_655
O50 Na6 O55 71.1(8) 2_665 2_655
O5 Na6 O55 87.0(7) . 2_655
O1 Na6 O55 120.7(8) 2_665 2_655
O50 Na6 O45 162.6(11) . 2_665
O49 Na6 O45 73.5(6) 1_655 2_665
O50 Na6 O45 127.7(8) 2_665 2_665
O5 Na6 O45 70.8(4) . 2_665
O1 Na6 O45 88.1(5) 2_665 2_665
O55 Na6 O45 148.5(8) 2_655 2_665
O50 Na6 Na8 82.1(10) . 2_655
O49 Na6 Na8 36.4(6) 1_655 2_655
O50 Na6 Na8 123.8(8) 2_665 2_655
O5 Na6 Na8 96.2(7) . 2_655
O1 Na6 Na8 113.5(7) 2_665 2_655
O55 Na6 Na8 53.3(8) 2_655 2_655
O45 Na6 Na8 105.9(7) 2_665 2_655
O50 Na6 O55 70.1(10) . 1_565
O49 Na6 O55 164.4(8) 1_655 1_565
O50 Na6 O55 29.1(7) 2_665 1_565
O5 Na6 O55 92.2(7) . 1_565
O1 Na6 O55 68.2(6) 2_665 1_565
O55 Na6 O55 100.0(8) 2_655 1_565
O45 Na6 O55 102.8(7) 2_665 1_565
Na8 Na6 O55 151.3(8) 2_655 1_565
O50 Na6 Na4 141.9(10) . 2_665
O49 Na6 Na4 92.0(5) 1_655 2_665
O50 Na6 Na4 104.9(6) 2_665 2_665
O5 Na6 Na4 105.0(5) . 2_665
O1 Na6 Na4 46.7(3) 2_665 2_665
O55 Na6 Na4 167.4(8) 2_655 2_665
O45 Na6 Na4 43.2(3) 2_665 2_665
Na8 Na6 Na4 127.5(6) 2_655 2_665
O55 Na6 Na4 75.9(6) 1_565 2_665
O50 Na6 Na6 25.8(8) . 2_665
O49 Na6 Na6 143.2(8) 1_655 2_665
O50 Na6 Na6 16.0(5) 2_665 2_665
O5 Na6 Na6 89.7(6) . 2_665
O1 Na6 Na6 93.1(6) 2_665 2_665
O55 Na6 Na6 55.4(7) 2_655 2_665
O45 Na6 Na6 142.5(7) 2_665 2_665
Na8 Na6 Na6 107.9(7) 2_655 2_665
O55 Na6 Na6 44.6(6) 1_565 2_665
Na4 Na6 Na6 119.5(6) 2_665 2_665
O50 Na6 W3 87.7(9) . .
O49 Na6 W3 78.4(4) 1_655 .
O50 Na6 W3 101.9(6) 2_665 .
O5 Na6 W3 28.6(2) . .
O1 Na6 W3 169.1(5) 2_665 .
O55 Na6 W3 69.2(6) 2_655 .
O45 Na6 W3 81.3(4) 2_665 .
Na8 Na6 W3 67.7(5) 2_655 .
O55 Na6 W3 116.4(6) 1_565 .
Na4 Na6 W3 123.4(4) 2_665 .
Na6 Na6 W3 96.8(5) 2_665 .
O53 Na7 O20 130.7(9) 2 .
O53 Na7 Na5 70.5(6) 2 2
O20 Na7 Na5 65.3(5) . 2
O53 Na7 O52 119.3(8) 2 .
O20 Na7 O52 85.6(6) . .
Na5 Na7 O52 141.3(8) 2 .
O53 Na7 O47 120.9(8) 2 .
O20 Na7 O47 105.9(7) . .
Na5 Na7 O47 135.9(7) 2 .
O52 Na7 O47 74.6(5) . .
O53 Na7 O39 84.6(7) 2 2
O20 Na7 O39 83.6(5) . 2
Na5 Na7 O39 50.1(4) 2 2
O52 Na7 O39 154.9(7) . 2
O47 Na7 O39 86.8(5) . 2
O53 Na7 W7 151.8(8) 2 .
O20 Na7 W7 25.3(3) . .
Na5 Na7 W7 81.3(5) 2 .
O52 Na7 W7 81.9(5) . .
O47 Na7 W7 80.9(5) . .
O39 Na7 W7 78.6(4) 2 .
O53 Na7 Na8 93.0(7) 2 .
O20 Na7 Na8 44.3(5) . .
Na5 Na7 Na8 56.6(5) 2 .
O52 Na7 Na8 84.8(6) . .
O47 Na7 Na8 145.7(7) . .
O39 Na7 Na8 102.6(6) 2 .
W7 Na7 Na8 69.1(5) . .
O49 Na8 O8 90.1(11) 2 2_655
O49 Na8 O42 86.1(11) 2 .
O8 Na8 O42 167.1(13) 2_655 .
O49 Na8 O55 107.6(13) 2 .
O8 Na8 O55 77.8(10) 2_655 .
O42 Na8 O55 91.6(10) . .
O49 Na8 O20 96.0(11) 2 .
O8 Na8 O20 87.2(8) 2_655 .
O42 Na8 O20 105.5(10) . .
O55 Na8 O20 151.9(12) . .
O49 Na8 O54 152.6(14) 2 .
O8 Na8 O54 67.2(7) 2_655 .
O42 Na8 O54 112.5(10) . .
O55 Na8 O54 54.3(8) . .
O20 Na8 O54 98.0(9) . .
O49 Na8 O38 156.6(14) 2 .
O8 Na8 O38 113.2(10) 2_655 .
O42 Na8 O38 70.7(7) . .
O55 Na8 O38 76.6(9) . .
O20 Na8 O38 87.9(7) . .
O54 Na8 O38 47.7(5) . .
O49 Na8 Na6 51.7(8) 2 2_655
O8 Na8 Na6 79.4(8) 2_655 2_655
O42 Na8 Na6 88.6(8) . 2_655
O55 Na8 Na6 55.9(8) . 2_655
O20 Na8 Na6 144.3(10) . 2_655
O54 Na8 Na6 106.7(9) . 2_655
O38 Na8 Na6 127.8(9) . 2_655
O49 Na8 Na5 47.3(7) 2 2
O8 Na8 Na5 87.6(8) 2_655 2
O42 Na8 Na5 98.7(8) . 2
O55 Na8 Na5 151.4(12) . 2
O20 Na8 Na5 48.7(4) . 2
O54 Na8 Na5 140.4(10) . 2
O38 Na8 Na5 132.0(9) . 2
Na6 Na8 Na5 97.5(7) 2_655 2
O49 Na8 Na7 75.3(9) 2 .
O8 Na8 Na7 59.0(6) 2_655 .
O42 Na8 Na7 131.2(9) . .
O55 Na8 Na7 136.9(11) . .
O20 Na8 Na7 35.7(4) . .
O54 Na8 Na7 103.5(8) . .
O38 Na8 Na7 118.0(8) . .
Na6 Na8 Na7 111.8(8) 2_655 .
Na5 Na8 Na7 37.4(4) 2 .
O49 Na8 W3 83.3(10) 2 2_655
O8 Na8 W3 13.7(4) 2_655 2_655
O42 Na8 W3 153.6(10) . 2_655
O55 Na8 W3 68.9(8) . 2_655
O20 Na8 W3 99.6(7) . 2_655
O54 Na8 W3 71.1(6) . 2_655
O38 Na8 W3 118.8(8) . 2_655
Na6 Na8 W3 65.9(5) 2_655 2_655
Na5 Na8 W3 91.7(6) 2 2_655
Na7 Na8 W3 68.8(5) . 2_655
O7 Na10 O40 105.2(3) 1_545 .
O7 Na10 O36 136.3(3) 1_545 1_545
O40 Na10 O36 88.9(3) . 1_545
O7 Na10 O17 91.5(2) 1_545 2_656
O40 Na10 O17 117.7(3) . 2_656
O36 Na10 O17 118.5(3) 1_545 2_656
O7 Na10 Na2 103.7(2) 1_545 1_545
O40 Na10 Na2 103.3(2) . 1_545
O36 Na10 Na2 32.68(16) 1_545 1_545
O17 Na10 Na2 130.6(2) 2_656 1_545
O30 Si1 O27 114.0(3) . .
O30 Si1 O29 108.8(3) . .
O27 Si1 O29 108.1(3) . .
O30 Si1 O28 109.4(3) . .
O27 Si1 O28 108.3(3) . .
O29 Si1 O28 108.0(3) . .
W1 O1 Na6 135.7(5) . 2_665
W1 O1 Na4 134.1(4) . .
Na6 O1 Na4 89.3(4) 2_665 .
W1 O2 Na1 127.2(3) . 1_455
W1 O3 W2 145.3(4) . .
W3 O4 W1 145.1(3) . .
W2 O5 W3 117.3(3) . .
W2 O5 Na6 126.6(5) . .
W3 O5 Na6 116.0(4) . .
W2 O7 W4 116.4(3) . .
W2 O7 Na10 107.9(3) . 1_565
W4 O7 Na10 112.8(3) . 1_565
W3 O8 Na8 149.0(8) . 2_655
W3 O9 W4 121.7(3) . .
W4 O10 Fe1 139.7(3) . .
W4 O11 Na1 168.3(4) . .
W4 O12 W5 150.0(3) . .
W5 O13 Fe1 140.8(3) . 2_666
W5 O14 Na3 132.2(4) . .
W5 O14 Na2 130.2(3) . 2_766
Na3 O14 Na2 92.3(2) . 2_766
W5 O15 W7 121.2(3) . .
W6 O16 W5 116.8(3) . .
W6 O17 Fe1 140.1(3) . 2_666
W6 O17 Na10 107.5(2) . 2_656
Fe1 O17 Na10 109.0(2) 2_666 2_656
W7 O19 W6 117.6(3) . .
W7 O20 Na7 121.9(5) . .
W7 O20 Na5 134.3(4) . 2
Na7 O20 Na5 58.6(5) . 2
W7 O20 Na8 136.4(6) . .
Na7 O20 Na8 100.1(7) . .
Na5 O20 Na8 76.0(6) 2 .
W7 O21 W8 143.3(3) . .
W6 O22 W8 148.9(3) . .
W8 O23 Na1 134.8(3) . 1_455
W8 O24 W1 116.8(3) . .
W2 O26 Fe1 137.1(3) . .
Si1 O27 Fe1 125.1(3) . .
Si1 O27 Fe1 125.1(3) . 2_666
Fe1 O27 Fe1 96.5(2) . 2_666
Si1 O28 W5 123.9(3) . .
Si1 O28 W7 123.3(3) . .
W5 O28 W7 94.32(17) . .
Si1 O28 W6 124.1(3) . .
W5 O28 W6 91.21(18) . .
W7 O28 W6 90.56(17) . .
Si1 O29 W2 125.1(3) . .
Si1 O29 W4 125.0(3) . .
W2 O29 W4 89.80(19) . .
Si1 O29 W3 123.3(3) . .
W2 O29 W3 90.9(2) . .
W4 O29 W3 92.6(2) . .
Si1 O30 W8 128.0(3) . .
Si1 O30 W1 127.7(3) . .
W8 O30 W1 92.87(19) . .
W3 O31 W7 150.9(4) . .
Na2 O33 Na1 85.6(2) . .
Na2 O34 Na1 87.7(2) . .
Na2 O35 Na1 77.6(3) . .
Na2 O36 Na3 97.9(3) . 2_766
Na2 O36 Na10 106.8(3) . 1_565
Na3 O36 Na10 137.8(3) 2_766 1_565
Na3 O38 Na8 168.4(6) . .
Na5 O39 Na4 79.5(3) . .
Na5 O39 Na7 52.3(4) . 2
Na4 O39 Na7 131.8(5) . 2
Na3 O40 Na10 119.7(3) . .
Na5 O43 Na4 75.9(3) . .
Na4 O44 Na5 75.4(3) . .
Na4 O45 Na6 83.0(4) . 2_665
Na8 O49 Na6 92.0(10) 2 1_455
Na8 O49 Na5 99.2(10) 2 .
Na6 O49 Na5 159.7(8) 1_455 .
Na6 O50 O55 119.3(16) . 2_655
Na6 O50 O50 99.7(18) . 2_665
O55 O50 O50 137(2) 2_655 2_665
Na6 O50 Na6 138.2(12) . 2_665
O55 O50 Na6 100.7(14) 2_655 2_665
O50 O50 Na6 38.5(11) 2_665 2_665
O52 O52 Na7 123.5(8) 2_655 .
Na7 O53 Na5 59.1(6) 2 .
O50 O55 Na8 99.1(15) 2_655 .
O50 O55 Na6 30.3(9) 2_655 2_655
Na8 O55 Na6 70.8(9) . 2_655
O50 O55 Na6 50.2(11) 2_655 1_545
Na8 O55 Na6 148.6(12) . 1_545
Na6 O55 Na6 80.0(8) 2_655 1_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 1.711(7) .
W1 O2 1.821(8) .
W1 O24 1.930(6) .
W1 O3 1.935(6) .
W1 O4 2.029(7) .
W1 O30 2.280(6) .
W2 O6 1.742(7) .
W2 O26 1.857(6) .
W2 O7 1.893(6) .
W2 O5 1.940(7) .
W2 O3 1.941(6) .
W2 O29 2.321(6) .
W3 O8 1.709(7) .
W3 O31 1.869(7) .
W3 O4 1.879(7) .
W3 O9 1.905(7) .
W3 O5 1.954(7) .
W3 O29 2.343(6) .
W3 Na6 3.673(14) .
W3 Na8 3.72(2) 2_655
W4 O11 1.722(6) .
W4 O10 1.815(5) .
W4 O12 1.907(5) .
W4 O9 1.959(6) .
W4 O7 1.965(6) .
W4 O29 2.324(5) .
W5 O14 1.730(5) .
W5 O13 1.813(5) .
W5 O12 1.920(5) .
W5 O15 1.944(6) .
W5 O16 1.975(5) .
W5 O28 2.321(5) .
W6 O18 1.725(5) .
W6 O17 1.823(5) .
W6 O22 1.907(5) .
W6 O16 1.933(5) .
W6 O19 1.955(5) .
W6 O28 2.337(5) .
W7 O20 1.724(6) .
W7 O21 1.822(6) .
W7 O19 1.922(6) .
W7 O31 1.924(6) .
W7 O15 1.968(6) .
W7 O28 2.329(5) .
W7 Na7 3.426(16) .
W8 O25 1.745(6) .
W8 O23 1.757(5) .
W8 O22 1.920(5) .
W8 O24 1.922(6) .
W8 O21 2.134(6) .
W8 O30 2.246(5) .
Fe1 O17 1.971(5) 2_666
Fe1 O26 1.985(5) .
Fe1 O13 2.009(5) 2_666
Fe1 O10 2.014(5) .
Fe1 O27 2.036(5) .
Fe1 O27 2.054(5) 2_666
Na1 O32 2.356(7) .
Na1 O11 2.406(7) .
Na1 O34 2.440(7) .
Na1 O33 2.449(8) .
Na1 O23 2.450(7) 1_655
Na1 O35 2.761(9) .
Na1 O2 2.984(9) 1_655
Na1 Na2 3.309(5) .
Na2 O36 2.327(7) .
Na2 O34 2.337(7) .
Na2 O48 2.388(7) .
Na2 O33 2.421(7) .
Na2 O14 2.500(7) 2_766
Na2 O35 2.513(10) .
Na2 Na3 3.595(6) 2_766
Na2 Na10 4.125(7) 1_565
Na3 O40 2.377(8) .
Na3 O36 2.439(9) 2_766
Na3 O41 2.462(7) .
Na3 O37 2.471(10) .
Na3 O38 2.473(10) .
Na3 O14 2.486(7) .
Na3 Na2 3.595(6) 2_766
Na4 O51 2.340(18) .
Na4 O44 2.356(10) .
Na4 O45 2.405(10) .
Na4 O43 2.472(13) .
Na4 O39 2.494(11) .
Na4 O1 2.537(8) .
Na4 Na5 2.999(10) .
Na4 Na6 3.487(15) 2_665
Na5 O39 2.179(10) .
Na5 Na7 2.247(17) 2
Na5 O49 2.299(13) .
Na5 O20 2.393(8) 2
Na5 O43 2.403(11) .
Na5 O53 2.470(15) .
Na5 O44 2.541(11) .
Na5 Na8 3.09(2) 2
Na6 O50 1.48(2) .
Na6 O49 2.288(18) 1_655
Na6 O50 2.34(2) 2_665
Na6 O5 2.369(15) .
Na6 O1 2.425(15) 2_665
Na6 O55 2.56(3) 2_655
Na6 O45 2.836(17) 2_665
Na6 Na8 2.91(3) 2_655
Na6 O55 3.00(3) 1_565
Na6 Na4 3.487(15) 2_665
Na6 Na6 3.59(3) 2_665
Na7 O53 2.02(2) 2
Na7 O20 2.187(17) .
Na7 Na5 2.247(17) 2
Na7 O52 2.308(17) .
Na7 O47 2.352(18) .
Na7 O39 2.772(18) 2
Na7 Na8 3.69(3) .
Na8 O49 1.73(3) 2
Na8 O8 2.15(3) 2_655
Na8 O42 2.27(3) .
Na8 O55 2.48(3) .
Na8 O20 2.62(2) .
Na8 O54 2.69(3) .
Na8 O38 2.83(3) .
Na8 Na6 2.91(3) 2_655
Na8 Na5 3.09(2) 2
Na8 W3 3.72(2) 2_655
Na9 O55' 2.20(3) .
Na10 O7 2.739(8) 1_545
Na10 O40 2.776(10) .
Na10 O36 2.798(9) 1_545
Na10 O17 2.800(8) 2_656
Na10 Na2 4.125(7) 1_545
Si1 O30 1.620(5) .
Si1 O27 1.633(5) .
Si1 O29 1.651(6) .
Si1 O28 1.651(5) .
O1 Na6 2.425(15) 2_665
O2 Na1 2.984(9) 1_455
O7 Na10 2.739(8) 1_565
O8 Na8 2.15(3) 2_655
O13 Fe1 2.009(5) 2_666
O14 Na2 2.500(7) 2_766
O17 Fe1 1.971(5) 2_666
O17 Na10 2.800(8) 2_656
O20 Na5 2.393(8) 2
O23 Na1 2.450(7) 1_455
O27 Fe1 2.054(5) 2_666
O36 Na3 2.440(9) 2_766
O36 Na10 2.798(9) 1_565
O39 Na7 2.772(18) 2
O45 Na6 2.836(17) 2_665
O49 Na8 1.73(3) 2
O49 Na6 2.288(18) 1_455
O50 O55 1.48(3) 2_655
O50 O50 1.59(4) 2_665
O50 Na6 2.34(2) 2_665
O52 O52 1.643(16) 2_655
O53 Na7 2.02(2) 2
O55 O50 1.48(3) 2_655
O55 Na6 2.56(3) 2_655
O55 Na6 3.00(3) 1_545
