#------------------------------------------------------------------------------
#$Date: 2015-07-05 10:34:00 +0300 (Sun, 05 Jul 2015) $
#$Revision: 140058 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/29/4512947.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_4512947
loop_
_publ_author_name
'Amanchi, Srinivasa Rao'
'Khenkin, Alexander M.'
'Diskin-Posner, Yael'
'Neumann, Ronny'
_publ_section_title
;
 Bismuth-Substituted “Sandwich” Type Polyoxometalate
 Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate
 and Change of Chemoselectivity
;
_journal_issue                   6
_journal_name_full               'ACS Catalysis'
_journal_page_first              3336
_journal_paper_doi               10.1021/acscatal.5b00066
_journal_volume                  5
_journal_year                    2015
_chemical_formula_moiety         '2(Bi2 O69 W18 Zn4), 75.36(O), 20.72(Na)'
_chemical_formula_sum            'Bi4 Na20.72 O213.36 W36 Zn8'
_chemical_formula_weight         11867.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 93.12(3)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   13.234(3)
_cell_length_b                   17.661(4)
_cell_length_c                   20.966(4)
_cell_measurement_reflns_used    86964
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.74
_cell_measurement_theta_min      2.912
_cell_volume                     4893.0(18)
_computing_cell_refinement       APEX2
_computing_data_collection       'Collect package Bruker'
_computing_data_reduction        APEX2
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX - II KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_unetI/netI     0.0444
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            85156
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.787
_diffrn_reflns_theta_min         1.946
_exptl_absorpt_coefficient_mu    25.771
_exptl_absorpt_correction_T_max  0.4254
_exptl_absorpt_correction_T_min  0.0462
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker APEX2'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.028
_exptl_crystal_description       plate
_exptl_crystal_F_000             5164
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.040
_refine_diff_density_max         2.992
_refine_diff_density_min         -2.548
_refine_diff_density_rms         0.365
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         12704
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0501P)²+85.6220P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1096
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10123
_reflns_number_total             12704
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cs5b00066_si_003.cif
_cod_data_source_block           n459
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4512947--4512948.cif.
;
_cod_original_cell_volume        4893.0(17)
_cod_database_code               4512947
_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   0.046
_shelx_estimated_absorpt_t_max   0.425
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.20087(3) 0.13961(2) 0.10900(2) 0.01594(9) Uani 1 1 d . . .
W2 W 0.06785(3) 0.05509(2) 0.21377(2) 0.01713(9) Uani 1 1 d . . .
W3 W 0.06821(3) 0.24200(2) 0.20452(2) 0.01964(10) Uani 1 1 d . . .
W4 W 0.82639(3) 0.22327(2) -0.05085(2) 0.01865(10) Uani 1 1 d . . .
W5 W -0.21294(3) 0.06181(3) 0.19910(2) 0.02268(11) Uani 1 1 d . . .
W6 W 1.07239(3) 0.22782(2) -0.03894(2) 0.01828(10) Uani 1 1 d . . .
W7 W 0.67051(3) 0.13894(3) 0.07376(2) 0.02479(11) Uani 1 1 d . . .
W8 W 0.94486(4) 0.33151(3) 0.05840(2) 0.02420(11) Uani 1 1 d . . .
W9 W 0.7856(3) 0.24753(9) 0.1801(2) 0.0222(4) Uani 0.91(2) 1 d P . .
W9A W 0.8033(13) 0.2513(6) 0.1935(10) 0.017(2) Uiso 0.09(2) 1 d P . .
Zn10 Zn -0.06302(8) 0.12865(7) 0.07916(6) 0.0147(2) Uani 1 1 d . . .
Zn11 Zn 0.05463(9) -0.03962(7) 0.06240(6) 0.0162(2) Uani 1 1 d . . .
Bi12 Bi 0.19313(3) 0.04048(3) -0.04291(2) 0.02460(10) Uani 1 1 d . . .
O13 O 0.1033(6) 0.0071(5) 0.2837(4) 0.0241(17) Uani 1 1 d . . .
O14 O 0.2043(5) 0.0752(5) 0.1866(4) 0.0217(16) Uani 1 1 d . . .
O15 O -0.0762(6) 0.0705(4) 0.2264(4) 0.0231(17) Uani 1 1 d . . .
O16 O 0.8439(5) 0.1259(4) -0.0712(4) 0.0205(16) Uani 1 1 d . . .
O17 O 0.1581(6) 0.1992(4) 0.0398(4) 0.0221(16) Uani 1 1 d . . .
O18 O 0.0447(6) -0.0184(4) 0.1577(4) 0.0187(15) Uani 1 1 d . . .
O19 O 0.0701(6) -0.0311(4) -0.0367(4) 0.0207(16) Uani 1 1 d . . .
O20 O 0.8385(7) 0.3038(5) 0.1122(4) 0.0271(18) Uani 1 1 d . . .
O21 O -0.3452(6) 0.0780(6) 0.1489(4) 0.033(2) Uani 1 1 d . . .
O22 O 1.1701(6) 0.2562(5) -0.0865(4) 0.0298(19) Uani 1 1 d . . .
O23 O 0.1891(6) 0.0170(4) -0.1450(4) 0.0259(18) Uani 1 1 d . . .
O24 O 0.7449(8) 0.3201(5) 0.2289(5) 0.044(3) Uani 1 1 d . . .
O25 O 0.7586(6) 0.1641(5) 0.2363(4) 0.032(2) Uani 1 1 d . . .
O26 O 0.7491(6) 0.2582(5) -0.1143(4) 0.0281(18) Uani 1 1 d . . .
O27 O 0.1678(6) 0.0512(4) 0.0619(4) 0.0200(16) Uani 1 1 d . . .
O28 O 0.9598(5) 0.2463(4) -0.0936(4) 0.0198(16) Uani 1 1 d . . .
O29 O 0.0499(5) 0.1398(4) 0.1417(3) 0.0168(15) Uani 1 1 d . . .
O30 O 0.0846(7) 0.1601(4) 0.2596(4) 0.0246(17) Uani 1 1 d . . .
O31 O -0.1848(6) 0.1434(4) 0.1257(4) 0.0212(16) Uani 1 1 d . . .
O32 O -0.0551(6) 0.2137(4) 0.0214(4) 0.0183(15) Uani 1 1 d . . .
O33 O 1.0559(6) 0.3275(4) 0.0029(4) 0.0257(17) Uani 1 1 d . . .
O34 O 0.9244(6) 0.2407(4) 0.2122(4) 0.0251(18) Uani 1 1 d . . .
O35 O 0.0650(5) 0.1227(4) -0.0555(4) 0.0177(15) Uani 1 1 d . . .
O36 O 0.0342(7) 0.2995(4) 0.1267(4) 0.0259(18) Uani 1 1 d . . .
O37 O 0.3321(6) 0.1442(5) 0.1049(4) 0.0278(18) Uani 1 1 d . . .
O38 O 0.8492(7) 0.3294(4) -0.0122(4) 0.0279(18) Uani 1 1 d . . .
O39 O 0.7306(6) 0.2056(4) 0.0108(4) 0.0243(17) Uani 1 1 d . . .
O40 O -0.2614(6) 0.0143(6) 0.2628(5) 0.037(2) Uani 1 1 d . . .
O41 O 0.1990(6) 0.2272(4) 0.1684(4) 0.0229(17) Uani 1 1 d . . .
O42 O 0.6656(7) 0.2308(6) 0.1295(5) 0.038(2) Uani 1 1 d . . .
O43 O 0.9452(8) 0.4296(5) 0.0688(4) 0.038(2) Uani 1 1 d . . .
O44 O 0.7104(7) 0.0585(5) 0.0264(4) 0.0287(19) Uani 1 1 d . . .
O45 O 0.5447(7) 0.1475(6) 0.0474(5) 0.042(3) Uani 1 1 d . . .
O46 O 0.1029(8) 0.3148(5) 0.2554(4) 0.036(2) Uani 1 1 d . . .
O47 O 0.3100(13) 0.1074(9) -0.0425(9) 0.032(4) Uani 0.5 1 d P . .
Na48 Na 0.0469(4) 0.5635(3) 0.1997(2) 0.0289(10) Uani 1 1 d . . .
Na49 Na 0.0416(4) 0.7522(3) 0.2126(2) 0.0287(11) Uani 1 1 d . . .
O50 O 0.1727(6) 0.6585(5) 0.2127(4) 0.0265(18) Uani 1 1 d . . .
O51 O 0.1755(15) 0.8376(8) 0.2428(18) 0.059(7) Uani 0.71(5) 1 d P A 1
O52 O 0.075(3) 0.5537(11) 0.0939(9) 0.074(11) Uani 0.71(5) 1 d P A 1
O53 O 0.1751(12) 0.4693(10) 0.2127(18) 0.083(11) Uani 0.71(5) 1 d P A 1
O51A O 0.162(2) 0.854(2) 0.2169(15) 0.015(8) Uiso 0.29(5) 1 d P A 2
O52A O 0.016(3) 0.560(2) 0.0883(18) 0.024(9) Uiso 0.29(5) 1 d P A 2
O53A O 0.188(3) 0.482(2) 0.172(2) 0.034(11) Uiso 0.29(5) 1 d P A 2
Na54 Na 0.195(2) 0.5599(14) 0.0670(17) 0.161(13) Uani 0.5 1 d P A .
O55 O 0.216(3) 0.4756(15) 0.0893(13) 0.058(9) Uani 0.4 1 d P A 3
O55A O 0.272(9) 0.497(7) 0.127(6) 0.06(3) Uiso 0.1 1 d P A 4
O56 O 0.807(2) 0.5591(14) 0.0088(18) 0.129(18) Uani 0.61(4) 1 d P . .
O57 O 0.349(2) 0.5860(16) 0.1031(9) 0.115(14) Uani 0.70(4) 1 d P . .
Na58 Na 0.416(2) 0.6845(19) 0.1244(13) 0.055(12) Uani 0.23(2) 1 d P A .
Na59 Na 0.4416(4) 0.3837(3) 0.1849(3) 0.0394(13) Uani 1 1 d . . .
O60 O 0.4713(6) 0.2523(4) 0.1733(4) 0.0223(17) Uani 1 1 d . . .
O61 O 0.3028(19) 0.3526(12) 0.1053(10) 0.031(5) Uani 0.4 1 d P . .
O61A O 0.268(3) 0.373(2) 0.1340(18) 0.053(8) Uiso 0.35 1 d P . .
O61B O 0.204(4) 0.360(3) 0.090(3) 0.070(15) Uiso 0.25 1 d P . .
O62 O 0.5977(17) 0.4305(14) 0.1420(9) 0.088(7) Uani 0.7 1 d P . .
Na63 Na 0.4586(5) 0.9204(4) 0.1892(5) 0.076(3) Uani 0.95 1 d P A .
O64 O 0.6293(14) 0.8721(9) 0.1662(7) 0.085(5) Uani 0.95 1 d P . .
O65 O 0.4531(14) 0.7958(14) 0.0936(10) 0.120(7) Uani 0.95 1 d P . .
O66 O 0.2865(12) 0.9332(9) 0.1663(8) 0.033(4) Uani 0.55 1 d P . .
O66B O 0.343(3) 0.936(2) 0.1146(19) 0.094(11) Uiso 0.45 1 d P A .
O67 O 0.9157(6) 0.6591(5) 0.1945(4) 0.0262(18) Uani 1 1 d . . .
O68 O 0.4653(6) 0.0568(5) 0.1882(4) 0.0247(17) Uani 1 1 d . . .
O69 O 0.9402(6) 0.8609(5) 0.2229(5) 0.032(2) Uani 1 1 d . . .
O70 O 0.9440(7) 0.4537(5) 0.2094(5) 0.038(2) Uani 1 1 d . . .
O71 O 0.6398(8) 0.7780(7) 0.0955(6) 0.054(3) Uani 1 1 d . . .
O72 O 0.615(2) 0.7375(12) -0.0062(8) 0.066(9) Uani 0.75(6) 1 d P . .
O72A O 0.551(8) 0.713(4) -0.009(3) 0.09(3) Uiso 0.25(6) 1 d P A .
O73 O 0.6034(16) 0.6768(10) 0.1573(10) 0.108(10) Uani 0.93(5) 1 d P . .
O74 O 0.5262(18) 0.6706(16) 0.0578(13) 0.079(10) Uani 0.5 1 d P . .
Na75 Na 0.655(3) 0.3630(19) 0.0398(15) 0.029(7) Uani 0.15 1 d P . .
Na7A Na 0.608(3) 0.348(2) 0.025(2) 0.010(8) Uiso 0.1 1 d P . .
Na76 Na 0.469(3) -0.027(3) 1.0601(18) 0.050(11) Uani 0.15 1 d P . .
Na7B Na 0.426(3) 0.0401(19) 1.0262(17) 0.007(7) Uiso 0.1 1 d P . .
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 '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
O37 W1 O17 101.4(4) . .
O37 W1 O27 102.5(4) . .
O17 W1 O27 90.5(3) . .
O37 W1 O14 95.1(3) . .
O17 W1 O14 163.5(3) . .
O27 W1 O14 87.1(3) . .
O37 W1 O41 92.3(4) . .
O17 W1 O41 92.0(3) . .
O27 W1 O41 164.2(3) . .
O14 W1 O41 86.1(3) . .
O37 W1 O29 163.9(3) . .
O17 W1 O29 90.0(3) . .
O27 W1 O29 88.6(3) . .
O14 W1 O29 73.7(3) . .
O41 W1 O29 75.8(3) . .
O13 W2 O18 103.4(4) . .
O13 W2 O14 97.1(3) . .
O18 W2 O14 94.0(3) . .
O13 W2 O15 100.0(4) . .
O18 W2 O15 93.3(3) . .
O14 W2 O15 159.3(3) . .
O13 W2 O30 91.6(3) . .
O18 W2 O30 165.0(3) . .
O14 W2 O30 84.0(3) . .
O15 W2 O30 83.9(3) . .
O13 W2 O29 163.0(3) . .
O18 W2 O29 92.0(3) . .
O14 W2 O29 74.6(3) . .
O15 W2 O29 85.8(3) . .
O30 W2 O29 73.1(3) . .
O13 W2 Na59 29.8(3) . 2_545
O18 W2 Na59 76.8(3) . 2_545
O14 W2 Na59 112.1(2) . 2_545
O15 W2 Na59 88.4(3) . 2_545
O30 W2 Na59 117.8(2) . 2_545
O29 W2 Na59 167.1(2) . 2_545
O46 W3 O30 100.3(4) . .
O46 W3 O34 100.9(4) . 1_455
O30 W3 O34 91.2(4) . 1_455
O46 W3 O41 97.4(4) . .
O30 W3 O41 93.5(4) . .
O34 W3 O41 159.9(3) 1_455 .
O46 W3 O36 99.9(4) . .
O30 W3 O36 159.8(3) . .
O34 W3 O36 83.8(4) 1_455 .
O41 W3 O36 85.1(3) . .
O46 W3 O29 170.2(4) . .
O30 W3 O29 75.1(3) . .
O34 W3 O29 87.9(3) 1_455 .
O41 W3 O29 74.5(3) . .
O36 W3 O29 85.1(3) . .
O46 W3 Na58 66.8(6) . 2_545
O30 W3 Na58 35.8(6) . 2_545
O34 W3 Na58 85.5(5) 1_455 2_545
O41 W3 Na58 109.4(5) . 2_545
O36 W3 Na58 160.9(6) . 2_545
O29 W3 Na58 110.2(5) . 2_545
O26 W4 O16 103.7(4) . .
O26 W4 O39 101.1(4) . .
O16 W4 O39 96.1(3) . .
O26 W4 O38 92.6(4) . .
O16 W4 O38 162.0(3) . .
O39 W4 O38 88.3(3) . .
O26 W4 O28 94.6(4) . .
O16 W4 O28 87.7(3) . .
O39 W4 O28 162.5(3) . .
O38 W4 O28 83.2(3) . .
O26 W4 O32 161.7(3) . 1_655
O16 W4 O32 89.6(3) . 1_655
O39 W4 O32 89.8(3) . 1_655
O38 W4 O32 72.8(3) . 1_655
O28 W4 O32 73.1(3) . 1_655
O40 W5 O23 101.1(4) . 3
O40 W5 O15 101.3(4) . .
O23 W5 O15 93.2(3) 3 .
O40 W5 O25 92.9(4) . 1_455
O23 W5 O25 164.5(4) 3 1_455
O15 W5 O25 90.3(3) . 1_455
O40 W5 O21 97.1(4) . .
O23 W5 O21 87.6(4) 3 .
O15 W5 O21 161.0(3) . .
O25 W5 O21 84.2(4) 1_455 .
O40 W5 O31 164.0(4) . .
O23 W5 O31 91.3(3) 3 .
O15 W5 O31 87.8(3) . .
O25 W5 O31 73.7(3) 1_455 .
O21 W5 O31 73.2(3) . .
O22 W6 O28 101.0(4) . .
O22 W6 O35 102.1(4) . 1_655
O28 W6 O35 91.5(3) . 1_655
O22 W6 O33 95.7(4) . .
O28 W6 O33 90.8(3) . .
O35 W6 O33 161.2(3) 1_655 .
O22 W6 O17 97.9(3) . 1_655
O28 W6 O17 161.0(3) . 1_655
O35 W6 O17 85.8(3) 1_655 1_655
O33 W6 O17 86.0(3) . 1_655
O22 W6 O32 169.9(4) . 1_655
O28 W6 O32 76.0(3) . 1_655
O35 W6 O32 87.7(3) 1_655 1_655
O33 W6 O32 74.7(3) . 1_655
O17 W6 O32 85.1(3) 1_655 1_655
O45 W7 O44 101.2(5) . .
O45 W7 O21 99.5(4) . 1_655
O44 W7 O21 93.3(4) . 1_655
O45 W7 O39 98.6(4) . .
O44 W7 O39 87.8(3) . .
O21 W7 O39 161.3(3) 1_655 .
O45 W7 O42 93.1(5) . .
O44 W7 O42 165.1(4) . .
O21 W7 O42 88.1(4) 1_655 .
O39 W7 O42 86.2(4) . .
O45 W7 O31 166.3(4) . 1_655
O44 W7 O31 91.6(3) . 1_655
O21 W7 O31 74.9(3) 1_655 1_655
O39 W7 O31 86.4(3) . 1_655
O42 W7 O31 74.4(3) . 1_655
O43 W8 O36 101.8(4) . 1_655
O43 W8 O38 96.6(4) . .
O36 W8 O38 161.4(3) 1_655 .
O43 W8 O20 100.2(4) . .
O36 W8 O20 85.8(4) 1_655 .
O38 W8 O20 88.5(4) . .
O43 W8 O33 96.6(4) . .
O36 W8 O33 88.9(4) 1_655 .
O38 W8 O33 91.6(4) . .
O20 W8 O33 163.1(3) . .
O43 W8 O32 166.7(4) . 1_655
O36 W8 O32 88.4(3) 1_655 1_655
O38 W8 O32 73.8(3) . 1_655
O20 W8 O32 88.9(3) . 1_655
O33 W8 O32 74.9(3) . 1_655
O43 W8 Na54 64.5(6) . 3_665
O36 W8 Na54 165.3(5) 1_655 3_665
O38 W8 Na54 33.1(5) . 3_665
O20 W8 Na54 101.4(6) . 3_665
O33 W8 Na54 87.6(6) . 3_665
O32 W8 Na54 104.4(5) 1_655 3_665
O24 W9 O42 99.7(5) . .
O24 W9 O20 101.2(4) . .
O42 W9 O20 89.6(4) . .
O24 W9 O34 99.2(5) . .
O42 W9 O34 161.0(4) . .
O20 W9 O34 84.9(4) . .
O24 W9 O25 97.5(4) . .
O42 W9 O25 92.6(4) . .
O20 W9 O25 160.6(3) . .
O34 W9 O25 86.8(4) . .
O24 W9 O31 169.6(4) . 1_655
O42 W9 O31 75.3(4) . 1_655
O20 W9 O31 88.0(3) . 1_655
O34 W9 O31 86.3(3) . 1_655
O25 W9 O31 74.0(3) . 1_655
O34 W9A O24 117.0(14) . .
O34 W9A O25 96.9(10) . .
O24 W9A O25 102.8(7) . .
O34 W9A O20 89.3(6) . .
O24 W9A O20 100.2(7) . .
O25 W9A O20 150.1(11) . .
O34 W9A O42 151.7(9) . .
O24 W9A O42 90.1(9) . .
O25 W9A O42 83.5(7) . .
O20 W9A O42 77.6(9) . .
O34 W9A O31 87.5(5) . 1_655
O24 W9A O31 155.4(13) . 1_655
O25 W9A O31 70.5(5) . 1_655
O20 W9A O31 80.7(7) . 1_655
O42 W9A O31 65.9(6) . 1_655
O32 Zn10 O19 113.9(3) . 3
O32 Zn10 O29 106.1(3) . .
O19 Zn10 O29 114.6(3) 3 .
O32 Zn10 O31 106.5(3) . .
O19 Zn10 O31 109.1(3) 3 .
O29 Zn10 O31 106.0(3) . .
O16 Zn11 O18 97.2(3) 3_655 .
O16 Zn11 O19 92.5(3) 3_655 .
O18 Zn11 O19 165.2(3) . .
O16 Zn11 O19 165.4(3) 3_655 3
O18 Zn11 O19 92.8(3) . 3
O19 Zn11 O19 79.8(3) . 3
O16 Zn11 O35 88.6(3) 3_655 3
O18 Zn11 O35 96.0(3) . 3
O19 Zn11 O35 95.4(3) . 3
O19 Zn11 O35 79.9(3) 3 3
O16 Zn11 O27 95.8(3) 3_655 .
O18 Zn11 O27 87.2(3) . .
O19 Zn11 O27 80.8(3) . .
O19 Zn11 O27 95.2(3) 3 .
O35 Zn11 O27 174.3(3) 3 .
O16 Zn11 Bi12 89.6(2) 3_655 .
O18 Zn11 Bi12 130.5(2) . .
O19 Zn11 Bi12 38.1(2) . .
O19 Zn11 Bi12 91.8(2) 3 .
O35 Zn11 Bi12 133.3(2) 3 .
O27 Zn11 Bi12 43.3(2) . .
O16 Zn11 Bi12 131.2(2) 3_655 3
O18 Zn11 Bi12 90.3(2) . 3
O19 Zn11 Bi12 91.6(2) . 3
O19 Zn11 Bi12 37.9(2) 3 3
O35 Zn11 Bi12 42.6(2) 3 3
O27 Zn11 Bi12 132.9(2) . 3
Bi12 Zn11 Bi12 120.75(4) . 3
O47 Bi12 O19 176.1(6) . .
O47 Bi12 O23 95.6(6) . .
O19 Bi12 O23 88.2(3) . .
O47 Bi12 O44 91.6(5) . 3_655
O19 Bi12 O44 87.5(3) . 3_655
O23 Bi12 O44 89.2(3) . 3_655
O47 Bi12 O35 101.7(5) . .
O19 Bi12 O35 79.0(3) . .
O23 Bi12 O35 91.7(3) . .
O44 Bi12 O35 166.5(3) 3_655 .
O47 Bi12 O27 96.0(6) . .
O19 Bi12 O27 80.3(3) . .
O23 Bi12 O27 168.3(3) . .
O44 Bi12 O27 91.7(3) 3_655 .
O35 Bi12 O27 84.8(3) . .
O47 Bi12 Zn11 137.3(5) . .
O19 Bi12 Zn11 38.9(2) . .
O23 Bi12 Zn11 126.7(2) . .
O44 Bi12 Zn11 83.7(2) 3_655 .
O35 Bi12 Zn11 84.91(18) . .
O27 Bi12 Zn11 42.03(19) . .
O47 Bi12 Zn11 142.3(5) . 3
O19 Bi12 Zn11 38.9(2) . 3
O23 Bi12 Zn11 84.6(2) . 3
O44 Bi12 Zn11 126.0(2) 3_655 3
O35 Bi12 Zn11 40.75(19) . 3
O27 Bi12 Zn11 85.47(19) . 3
Zn11 Bi12 Zn11 59.25(4) . 3
O47 Bi12 Na7B 44.3(8) . 1_554
O19 Bi12 Na7B 133.1(6) . 1_554
O23 Bi12 Na7B 113.6(6) . 1_554
O44 Bi12 Na7B 53.9(6) 3_655 1_554
O35 Bi12 Na7B 136.9(6) . 1_554
O27 Bi12 Na7B 76.0(6) . 1_554
Zn11 Bi12 Na7B 104.1(6) . 1_554
Zn11 Bi12 Na7B 161.4(6) 3 1_554
W2 O13 Na59 128.7(4) . 2_545
W2 O14 W1 111.3(4) . .
W5 O15 W2 151.4(5) . .
W4 O16 Zn11 142.4(4) . 3_655
W1 O17 W6 156.4(4) . 1_455
W2 O18 Zn11 140.1(4) . .
Zn10 O19 Bi12 122.2(4) 3 .
Zn10 O19 Zn11 112.6(4) 3 .
Bi12 O19 Zn11 103.0(3) . .
Zn10 O19 Zn11 113.0(4) 3 3
Bi12 O19 Zn11 103.3(3) . 3
Zn11 O19 Zn11 100.2(3) . 3
W9 O20 W8 152.6(5) . .
W9 O20 W9A 10.0(5) . .
W8 O20 W9A 145.7(7) . .
W9 O20 Na75 104.0(8) . .
W8 O20 Na75 102.4(7) . .
W9A O20 Na75 111.9(9) . .
W7 O21 W5 112.1(4) 1_455 .
W5 O23 Bi12 139.2(4) 3 .
W9A O24 W9 11.8(7) . .
W9A O25 W9 10.8(6) . .
W9A O25 W5 118.5(6) . 1_655
W9 O25 W5 113.8(4) . 1_655
W4 O26 Na58 135.0(8) . 3_665
W1 O27 Zn11 137.8(4) . .
W1 O27 Bi12 122.6(4) . .
Zn11 O27 Bi12 94.7(3) . .
W6 O28 W4 112.0(4) . .
W6 O28 Na49 125.5(4) . 3_665
W4 O28 Na49 118.5(3) . 3_665
Zn10 O29 W2 117.3(3) . .
Zn10 O29 W1 118.6(3) . .
W2 O29 W1 99.0(3) . .
Zn10 O29 W3 122.2(3) . .
W2 O29 W3 98.3(3) . .
W1 O29 W3 96.7(3) . .
W3 O30 W2 113.5(4) . .
W3 O30 Na58 118.1(8) . 2_545
W2 O30 Na58 126.9(8) . 2_545
Zn10 O31 W7 118.7(4) . 1_455
Zn10 O31 W5 116.6(4) . .
W7 O31 W5 98.8(3) 1_455 .
Zn10 O31 W9 123.0(4) . 1_455
W7 O31 W9 96.5(3) 1_455 1_455
W5 O31 W9 98.4(3) . 1_455
Zn10 O31 W9A 119.2(5) . 1_455
W7 O31 W9A 104.2(6) 1_455 1_455
W5 O31 W9A 95.1(5) . 1_455
W9 O31 W9A 7.9(4) 1_455 1_455
Zn10 O32 W4 116.3(4) . 1_455
Zn10 O32 W6 121.5(4) . 1_455
W4 O32 W6 98.2(3) 1_455 1_455
Zn10 O32 W8 120.5(4) . 1_455
W4 O32 W8 99.2(3) 1_455 1_455
W6 O32 W8 96.4(3) 1_455 1_455
W8 O33 W6 113.9(4) . .
W9A O34 W3 160.0(8) . 1_655
W9A O34 W9 7.1(6) . .
W3 O34 W9 154.4(5) 1_655 .
W6 O35 Zn11 135.3(4) 1_455 3
W6 O35 Bi12 125.7(4) 1_455 .
Zn11 O35 Bi12 96.7(3) 3 .
W8 O36 W3 153.3(5) 1_455 .
W1 O37 Na7B 118.0(8) . 1_554
W8 O38 W4 113.8(4) . .
W8 O38 Na54 120.6(9) . 3_665
W4 O38 Na54 122.9(9) . 3_665
W8 O38 Na75 105.7(8) . .
W4 O38 Na75 102.7(8) . .
Na54 O38 Na75 79.0(12) 3_665 .
W4 O39 W7 150.4(4) . .
W4 O39 Na7A 108.3(8) . .
W7 O39 Na7A 101.2(8) . .
W3 O41 W1 113.0(4) . .
W9 O42 W7 113.7(4) . .
W9 O42 W9A 2.7(3) . .
W7 O42 W9A 115.5(5) . .
W9 O42 Na75 103.9(9) . .
W7 O42 Na75 105.5(7) . .
W9A O42 Na75 105.0(9) . .
W7 O44 Bi12 136.1(5) . 3_655
W7 O44 Na7B 121.3(8) . 3_656
Bi12 O44 Na7B 85.3(8) 3_655 3_656
W7 O44 Na76 103.5(9) . 3_656
Bi12 O44 Na76 112.9(10) 3_655 3_656
Na7B O44 Na76 29.8(12) 3_656 3_656
W7 O45 Na7B 125.4(9) . 1_554
W3 O46 Na63 143.9(6) . 2_545
Bi12 O47 Na7B 100.6(11) . 1_554
O52 Na48 O68 170.9(9) . 2
O52A Na48 O68 165.4(10) . 2
O52 Na48 O50 90.8(7) . .
O52A Na48 O50 102.5(10) . .
O68 Na48 O50 90.4(3) 2 .
O52 Na48 O53 84.5(10) . .
O68 Na48 O53 86.5(10) 2 .
O50 Na48 O53 89.4(5) . .
O52 Na48 O70 98.4(6) . 1_455
O52A Na48 O70 89.6(10) . 1_455
O68 Na48 O70 78.7(3) 2 1_455
O50 Na48 O70 165.3(4) . 1_455
O53 Na48 O70 80.2(5) . 1_455
O52 Na48 O67 99.5(10) . 1_455
O52A Na48 O67 83.5(9) . 1_455
O68 Na48 O67 89.6(3) 2 1_455
O50 Na48 O67 90.5(3) . 1_455
O53 Na48 O67 176.0(10) . 1_455
O70 Na48 O67 99.2(4) 1_455 1_455
O52A Na48 O53A 81.1(12) . .
O68 Na48 O53A 107.3(11) 2 .
O50 Na48 O53A 84.5(10) . .
O70 Na48 O53A 89.3(11) 1_455 .
O67 Na48 O53A 162.4(12) 1_455 .
O52 Na48 Na49 99.2(5) . .
O52A Na48 Na49 95.9(9) . .
O68 Na48 Na49 88.1(3) 2 .
O50 Na48 Na49 45.8(2) . .
O53 Na48 Na49 134.8(5) . .
O70 Na48 Na49 142.1(3) 1_455 .
O67 Na48 Na49 44.8(2) 1_455 .
O53A Na48 Na49 128.7(10) . .
O52 Na48 Na63 127.9(6) . 2_545
O52A Na48 Na63 130.1(9) . 2_545
O68 Na48 Na63 44.5(2) 2 2_545
O50 Na48 Na63 118.9(3) . 2_545
O53 Na48 Na63 56.7(8) . 2_545
O70 Na48 Na63 46.5(3) 1_455 2_545
O67 Na48 Na63 120.1(3) 1_455 2_545
O53A Na48 Na63 76.7(12) . 2_545
Na49 Na48 Na63 132.5(2) . 2_545
O52 Na48 Na54 24.8(11) . .
O52A Na48 Na54 44.2(10) . .
O68 Na48 Na54 149.5(5) 2 .
O50 Na48 Na54 71.5(5) . .
O53 Na48 Na54 69.6(9) . .
O70 Na48 Na54 113.7(6) 1_455 .
O67 Na48 Na54 114.1(4) 1_455 .
O53A Na48 Na54 48.3(12) . .
Na49 Na48 Na54 95.6(4) . .
Na63 Na48 Na54 124.1(4) 2_545 .
O69 Na49 O67 100.5(3) 1_455 1_455
O69 Na49 O51A 76.5(9) 1_455 .
O67 Na49 O51A 172.0(9) 1_455 .
O69 Na49 O51 83.1(5) 1_455 .
O67 Na49 O51 172.8(9) 1_455 .
O69 Na49 O50 167.7(4) 1_455 .
O67 Na49 O50 91.3(3) 1_455 .
O51A Na49 O50 92.2(9) . .
O51 Na49 O50 84.8(5) . .
O69 Na49 O60 80.6(3) 1_455 2
O67 Na49 O60 94.2(3) 1_455 2
O51A Na49 O60 92.6(8) . 2
O51 Na49 O60 80.1(8) . 2
O50 Na49 O60 95.2(3) . 2
O69 Na49 O28 96.3(3) 1_455 3_665
O67 Na49 O28 83.1(3) 1_455 3_665
O51A Na49 O28 89.9(8) . 3_665
O51 Na49 O28 102.9(9) . 3_665
O50 Na49 O28 88.5(3) . 3_665
O60 Na49 O28 175.5(3) 2 3_665
O69 Na49 Na59 50.2(3) 1_455 2
O67 Na49 Na59 130.2(3) 1_455 2
O51A Na49 Na59 53.3(8) . 2
O51 Na49 Na59 48.1(5) . 2
O50 Na49 Na59 118.8(3) . 2
O60 Na49 Na59 48.0(2) 2 2
O28 Na49 Na59 131.9(3) 3_665 2
O69 Na49 Na48 146.4(3) 1_455 .
O67 Na49 Na48 46.3(2) 1_455 .
O51A Na49 Na48 137.1(8) . .
O51 Na49 Na48 129.2(5) . .
O50 Na49 Na48 45.1(2) . .
O60 Na49 Na48 94.8(3) 2 .
O28 Na49 Na48 85.9(2) 3_665 .
Na59 Na49 Na48 141.8(2) 2 .
Na48 O50 Na49 89.1(3) . .
Na59 O51 Na49 83.4(5) 2 .
Na54 O52 Na48 121(2) . .
Na48 O53 Na63 80.3(8) . 2_545
Na49 O51A Na59 78.5(10) . 2
Na48 O52A Na54 93.6(16) . .
Na48 O53A Na54 87.2(15) . .
O55 Na54 O57 87.0(19) . .
O52 Na54 O57 140(2) . .
O55A Na54 O57 56(4) . .
O55 Na54 O38 167(2) . 3_665
O52 Na54 O38 90.2(13) . 3_665
O55A Na54 O38 157(4) . 3_665
O57 Na54 O38 101.5(13) . 3_665
O57 Na54 O52A 147(2) . .
O38 Na54 O52A 82.5(12) 3_665 .
O57 Na54 O53A 84.0(13) . .
O38 Na54 O53A 147.3(19) 3_665 .
O52A Na54 O53A 76.3(15) . .
O55 Na54 O56 54.7(16) . 3_665
O52 Na54 O56 99.6(15) . 3_665
O55A Na54 O56 86(4) . 3_665
O57 Na54 O56 110.8(16) . 3_665
O38 Na54 O56 112.2(16) 3_665 3_665
O52A Na54 O56 97.5(14) . 3_665
O53A Na54 O56 95.1(14) . 3_665
O55 Na54 Na75 118(2) . 3_665
O52 Na54 Na75 146.6(16) . 3_665
O55A Na54 Na75 111(4) . 3_665
O57 Na54 Na75 64.6(12) . 3_665
O38 Na54 Na75 58.1(9) 3_665 3_665
O52A Na54 Na75 137.5(14) . 3_665
O53A Na54 Na75 146.0(14) . 3_665
O56 Na54 Na75 84.8(13) 3_665 3_665
O55 Na54 Na48 83.1(18) . .
O52 Na54 Na48 33.9(12) . .
O55A Na54 Na48 78(4) . .
O57 Na54 Na48 106.0(14) . .
O38 Na54 Na48 104.0(11) 3_665 .
O52A Na54 Na48 42.3(11) . .
O53A Na54 Na48 44.4(10) . .
O56 Na54 Na48 120.5(11) 3_665 .
Na75 Na54 Na48 154.4(11) 3_665 .
O55 Na54 W8 141(2) . 3_665
O52 Na54 W8 80.2(12) . 3_665
O55A Na54 W8 175(4) . 3_665
O57 Na54 W8 124.2(12) . 3_665
O38 Na54 W8 26.4(4) 3_665 3_665
O52A Na54 W8 70.9(10) . 3_665
O53A Na54 W8 147.2(15) . 3_665
O56 Na54 W8 89.8(12) 3_665 3_665
Na75 Na54 W8 66.7(8) 3_665 3_665
Na48 Na54 W8 106.2(8) . 3_665
O55 Na54 Na7A 117(2) . 3_665
O52 Na54 Na7A 152.7(15) . 3_665
O55A Na54 Na7A 104(4) . 3_665
O57 Na54 Na7A 54.3(12) . 3_665
O38 Na54 Na7A 62.4(10) 3_665 3_665
O52A Na54 Na7A 144.5(14) . 3_665
O53A Na54 Na7A 137.1(14) . 3_665
O56 Na54 Na7A 91.4(14) 3_665 3_665
Na75 Na54 Na7A 10.6(7) 3_665 3_665
Na48 Na54 Na7A 148.0(12) . 3_665
W8 Na54 Na7A 74.9(9) 3_665 3_665
Na58 O57 Na54 130.8(15) . .
Na58 O57 Na7A 75.9(14) . 3_665
Na54 O57 Na7A 89.5(14) . 3_665
O57 Na58 O74 93.6(17) . .
O57 Na58 O65 147.6(16) . .
O74 Na58 O65 74.0(15) . .
O57 Na58 O26 87.8(13) . 3_665
O74 Na58 O26 130.9(14) . 3_665
O65 Na58 O26 79.0(11) . 3_665
O57 Na58 O30 92.5(14) . 2
O74 Na58 O30 132.5(14) . 2
O65 Na58 O30 118.1(14) . 2
O26 Na58 O30 96.3(11) 3_665 2
O57 Na58 O73 115.2(15) . .
O74 Na58 O73 57.8(12) . .
O65 Na58 O73 83.8(13) . .
O26 Na58 O73 156.0(15) 3_665 .
O30 Na58 O73 77.2(9) 2 .
O57 Na58 Na7A 66.7(12) . 3_665
O74 Na58 Na7A 50.0(13) . 3_665
O65 Na58 Na7A 83.0(13) . 3_665
O26 Na58 Na7A 87.0(11) 3_665 3_665
O30 Na58 Na7A 158.9(16) 2 3_665
O73 Na58 Na7A 107.5(13) . 3_665
O57 Na58 Na75 59.7(10) . 3_665
O74 Na58 Na75 59.5(12) . 3_665
O65 Na58 Na75 88.7(12) . 3_665
O26 Na58 Na75 80.0(9) 3_665 3_665
O30 Na58 Na75 151.9(15) 2 3_665
O73 Na58 Na75 116.4(12) . 3_665
Na7A Na58 Na75 10.0(8) 3_665 3_665
O57 Na58 W3 117.2(14) . 2
O74 Na58 W3 132.1(14) . 2
O65 Na58 W3 92.2(11) . 2
O26 Na58 W3 88.5(8) 3_665 2
O30 Na58 W3 26.1(4) 2 2
O73 Na58 W3 75.5(8) . 2
Na7A Na58 W3 174.0(12) 3_665 2
Na75 Na58 W3 168.1(10) 3_665 2
O57 Na58 Na54 25.9(9) . .
O74 Na58 Na54 105.9(15) . .
O65 Na58 Na54 128.6(11) . .
O26 Na58 Na54 62.5(8) 3_665 .
O30 Na58 Na54 99.7(12) 2 .
O73 Na58 Na54 141.0(12) . .
Na7A Na58 Na54 63.4(11) 3_665 .
Na75 Na58 Na54 53.8(9) 3_665 .
W3 Na58 Na54 117.8(10) 2 .
O13 Na59 O51 87.5(5) 2 2_545
O13 Na59 O60 168.1(4) 2 .
O51 Na59 O60 81.2(5) 2_545 .
O13 Na59 O62 91.2(6) 2 .
O51 Na59 O62 161.4(10) 2_545 .
O60 Na59 O62 98.4(6) . .
O13 Na59 O69 95.3(3) 2 2_645
O51 Na59 O69 81.4(9) 2_545 2_645
O60 Na59 O69 79.5(3) . 2_645
O62 Na59 O69 80.2(6) . 2_645
O13 Na59 O61 101.7(6) 2 .
O51 Na59 O61 82.4(10) 2_545 .
O60 Na59 O61 80.5(6) . .
O62 Na59 O61 116.0(8) . .
O69 Na59 O61 155.9(6) 2_645 .
O13 Na59 O61A 87.2(9) 2 .
O51 Na59 O61A 68.1(12) 2_545 .
O60 Na59 O61A 91.9(9) . .
O62 Na59 O61A 130.4(10) . .
O69 Na59 O61A 149.3(9) 2_645 .
O61 Na59 O61A 19.8(9) . .
O13 Na59 O51A 79.2(9) 2 2_545
O60 Na59 O51A 89.0(9) . 2_545
O62 Na59 O51A 149.0(9) . 2_545
O69 Na59 O51A 71.6(7) 2_645 2_545
O61 Na59 O51A 94.9(9) . 2_545
O61A Na59 O51A 79.0(11) . 2_545
O13 Na59 Na49 119.9(3) 2 2_545
O51 Na59 Na49 48.5(5) 2_545 2_545
O60 Na59 Na49 49.1(2) . 2_545
O62 Na59 Na49 118.0(5) . 2_545
O69 Na59 Na49 47.6(2) 2_645 2_545
O61 Na59 Na49 108.5(5) . 2_545
O61A Na59 Na49 105.3(8) . 2_545
O51A Na59 Na49 48.2(8) 2_545 2_545
O13 Na59 W2 21.5(2) 2 2
O51 Na59 W2 82.5(6) 2_545 2
O60 Na59 W2 150.6(3) . 2
O62 Na59 W2 89.4(6) . 2
O69 Na59 W2 73.9(2) 2_645 2
O61 Na59 W2 121.4(6) . 2
O61A Na59 W2 104.6(9) . 2
O51A Na59 W2 70.9(9) 2_545 2
Na49 Na59 W2 102.35(17) 2_545 2
O13 Na59 Na7A 121.2(6) 2 .
O51 Na59 Na7A 148.9(9) 2_545 .
O60 Na59 Na7A 70.7(6) . .
O62 Na59 Na7A 42.2(9) . .
O69 Na59 Na7A 105.5(7) 2_645 .
O61 Na59 Na7A 80.1(8) . .
O61A Na59 Na7A 99.0(11) . .
O51A Na59 Na7A 159.6(11) 2_545 .
Na49 Na59 Na7A 114.5(6) 2_545 .
W2 Na59 Na7A 128.6(6) 2 .
Na59 O60 Na49 83.0(3) . 2_545
O61A O61 O61B 65(4) . .
O61A O61 Na59 81(3) . .
O61B O61 Na59 145(3) . .
O61 O61A O61B 77(4) . .
O61 O61A Na59 80(3) . .
O61B O61A Na59 156(4) . .
O61A O61B O61 38(2) . .
Na59 O62 Na75 116.1(14) . .
Na59 O62 Na7A 102.9(12) . .
Na75 O62 Na7A 14.4(10) . .
O66B Na63 O66 35.0(11) . .
O66B Na63 O46 102.0(11) . 2
O66 Na63 O46 79.5(5) . 2
O66B Na63 O68 83.8(10) . 1_565
O66 Na63 O68 86.3(5) . 1_565
O46 Na63 O68 143.7(6) 2 1_565
O66B Na63 O64 121.4(12) . .
O66 Na63 O64 152.7(7) . .
O46 Na63 O64 99.5(5) 2 .
O68 Na63 O64 107.9(5) 1_565 .
O66B Na63 O70 155.0(11) . 2_655
O66 Na63 O70 127.6(6) . 2_655
O46 Na63 O70 86.7(4) 2 2_655
O68 Na63 O70 75.7(4) 1_565 2_655
O64 Na63 O70 79.2(5) . 2_655
O66B Na63 Na76 48.9(13) . 1_564
O66 Na63 Na76 82.6(10) . 1_564
O46 Na63 Na76 139.0(9) 2 1_564
O68 Na63 Na76 70.4(9) 1_565 1_564
O64 Na63 Na76 80.6(10) . 1_564
O70 Na63 Na76 132.5(9) 2_655 1_564
O66B Na63 O53 92.3(12) . 2
O66 Na63 O53 59.3(7) . 2
O46 Na63 O53 69.4(6) 2 2
O68 Na63 O53 74.5(5) 1_565 2
O64 Na63 O53 146.2(7) . 2
O70 Na63 O53 68.6(6) 2_655 2
Na76 Na63 O53 129.1(11) 1_564 2
O66B Na63 O65 67.2(11) . .
O66 Na63 O65 86.8(6) . .
O46 Na63 O65 75.6(5) 2 .
O68 Na63 O65 137.1(6) 1_565 .
O64 Na63 O65 66.7(6) . .
O70 Na63 O65 137.8(5) 2_655 .
Na76 Na63 O65 66.8(10) 1_564 .
O53 Na63 O65 134.5(5) 2 .
O66B Na63 Na48 111.1(11) . 2
O66 Na63 Na48 90.7(5) . 2
O46 Na63 Na48 103.1(4) 2 2
O68 Na63 Na48 43.4(3) 1_565 2
O64 Na63 Na48 115.8(5) . 2
O70 Na63 Na48 43.9(3) 2_655 2
Na76 Na63 Na48 113.8(9) 1_564 2
O53 Na63 Na48 43.0(4) 2 2
O65 Na63 Na48 177.4(4) . 2
O66B Na63 Na7B 43.4(12) . 1_564
O66 Na63 Na7B 73.2(7) . 1_564
O46 Na63 Na7B 143.9(6) 2 1_564
O68 Na63 Na7B 58.0(6) 1_565 1_564
O64 Na63 Na7B 94.2(6) . 1_564
O70 Na63 Na7B 128.8(6) 2_655 1_564
Na76 Na63 Na7B 15.8(10) 1_564 1_564
O53 Na63 Na7B 113.6(8) 2 1_564
O65 Na63 Na7B 79.6(7) . 1_564
Na48 Na63 Na7B 100.6(5) 2 1_564
Na58 O65 Na63 118.3(11) . .
O66B O66 Na63 65.7(18) . .
O66 O66B Na63 79.3(19) . .
O66 O66B Na76 155(3) . 1_564
Na63 O66B Na76 83.3(18) . 1_564
O66 O66B Na7B 142(2) . 1_564
Na63 O66B Na7B 105.7(16) . 1_564
Na76 O66B Na7B 30.4(15) 1_564 1_564
Na49 O67 Na48 88.9(3) 1_655 1_655
Na48 O68 Na63 92.1(4) 2_545 1_545
Na49 O69 Na59 82.2(3) 1_655 2_655
Na48 O70 Na63 89.6(4) 1_655 2_645
O72 O72A O74 112(6) . .
O72 O72A Na7A 176(7) . 3_665
O74 O72A Na7A 72(4) . 3_665
O72A O74 Na58 134(3) . .
O72A O74 Na7A 68(4) . 3_665
Na58 O74 Na7A 88.8(15) . 3_665
Na7A Na75 O62 104(5) . .
Na7A Na75 O38 120(4) . .
O62 Na75 O38 135.0(17) . .
Na7A Na75 O20 137(5) . .
O62 Na75 O20 90.4(11) . .
O38 Na75 O20 53.7(7) . .
Na7A Na75 O42 89(5) . .
O62 Na75 O42 81.1(10) . .
O38 Na75 O42 93.7(10) . .
O20 Na75 O42 53.0(6) . .
Na7A Na75 Na54 112(5) . 3_665
O62 Na75 Na54 125.0(15) . 3_665
O38 Na75 Na54 42.9(7) . 3_665
O20 Na75 Na54 89.3(11) . 3_665
O42 Na75 Na54 136.5(12) . 3_665
Na7A Na75 Na58 48(4) . 3_665
O62 Na75 Na58 144.9(15) . 3_665
O38 Na75 Na58 77.6(8) . 3_665
O20 Na75 Na58 124.4(10) . 3_665
O42 Na75 Na58 114.7(12) . 3_665
Na54 Na75 Na58 65.9(10) 3_665 3_665
Na75 Na7A O72A 162(6) . 3_665
Na75 Na7A O74 157(5) . 3_665
O72A Na7A O74 40(2) 3_665 3_665
Na75 Na7A O62 61(4) . .
O72A Na7A O62 105(2) 3_665 .
O74 Na7A O62 127.4(17) 3_665 .
Na75 Na7A O57 93(4) . 3_665
O72A Na7A O57 105(2) 3_665 3_665
O74 Na7A O57 65.3(13) 3_665 3_665
O62 Na7A O57 125.7(16) . 3_665
Na75 Na7A O39 84(4) . .
O72A Na7A O39 95(2) 3_665 .
O74 Na7A O39 101.5(16) 3_665 .
O62 Na7A O39 124.0(16) . .
O57 Na7A O39 96.4(13) 3_665 .
Na75 Na7A Na58 122(5) . 3_665
O72A Na7A Na58 75(2) 3_665 3_665
O74 Na7A Na58 41.2(10) 3_665 3_665
O62 Na7A Na58 157.9(16) . 3_665
O57 Na7A Na58 37.4(10) 3_665 3_665
O39 Na7A Na58 77.4(11) . 3_665
Na75 Na7A Na54 57(4) . 3_665
O72A Na7A Na54 141(2) 3_665 3_665
O74 Na7A Na54 101.3(15) 3_665 3_665
O62 Na7A Na54 106.7(14) . 3_665
O57 Na7A Na54 36.2(8) 3_665 3_665
O39 Na7A Na54 85.4(10) . 3_665
Na58 Na7A Na54 66.6(11) 3_665 3_665
Na75 Na7A Na59 94(4) . .
O72A Na7A Na59 71(2) 3_665 .
O74 Na7A Na59 101.3(13) 3_665 .
O62 Na7A Na59 34.8(6) . .
O57 Na7A Na59 142.3(13) 3_665 .
O39 Na7A Na59 121.1(12) . .
Na58 Na7A Na59 142.4(14) 3_665 .
Na54 Na7A Na59 140.3(13) 3_665 .
Na7B Na76 O66B 102(3) . 1_546
Na7B Na76 Na7B 87(2) . 3_657
O66B Na76 Na7B 151(2) 1_546 3_657
Na7B Na76 Na76 56(2) . 3_657
O66B Na76 Na76 146(3) 1_546 3_657
Na7B Na76 Na76 31.3(13) 3_657 3_657
Na7B Na76 Na63 132(3) . 1_546
O66B Na76 Na63 47.8(13) 1_546 1_546
Na7B Na76 Na63 139(2) 3_657 1_546
Na76 Na76 Na63 166(2) 3_657 1_546
Na7B Na76 O44 65(2) . 3_656
O66B Na76 O44 69.5(15) 1_546 3_656
Na7B Na76 O44 89.9(14) 3_657 3_656
Na76 Na76 O44 77.2(16) 3_657 3_656
Na63 Na76 O44 115.8(14) 1_546 3_656
Na76 Na7B Na76 93(2) . 3_657
Na76 Na7B O47 157(3) . 1_556
Na76 Na7B O47 88.3(17) 3_657 1_556
Na76 Na7B O45 107(2) . 1_556
Na76 Na7B O45 79.5(14) 3_657 1_556
O47 Na7B O45 96.2(13) 1_556 1_556
Na76 Na7B O44 85(2) . 3_656
Na76 Na7B O44 91.7(15) 3_657 3_656
O47 Na7B O44 71.4(10) 1_556 3_656
O45 Na7B O44 165.1(16) 1_556 3_656
Na76 Na7B Na7B 60(2) . 3_657
Na76 Na7B Na7B 33.1(15) 3_657 3_657
O47 Na7B Na7B 118(2) 1_556 3_657
O45 Na7B Na7B 90.1(16) 1_556 3_657
O44 Na7B Na7B 88.9(16) 3_656 3_657
Na76 Na7B O37 115(2) . 1_556
Na76 Na7B O37 144.7(19) 3_657 1_556
O47 Na7B O37 74.8(10) 1_556 1_556
O45 Na7B O37 72.0(9) 1_556 1_556
O44 Na7B O37 111.1(12) 3_656 1_556
Na7B Na7B O37 159(2) 3_657 1_556
Na76 Na7B O66B 48(2) . 1_546
Na76 Na7B O66B 134(2) 3_657 1_546
O47 Na7B O66B 117.4(15) 1_556 1_546
O45 Na7B O66B 129.3(16) 1_556 1_546
O44 Na7B O66B 65.2(11) 3_656 1_546
Na7B Na7B O66B 103.7(19) 3_657 1_546
O37 Na7B O66B 81.1(12) 1_556 1_546
Na76 Na7B Bi12 123(2) . 1_556
Na76 Na7B Bi12 103.6(15) 3_657 1_556
O47 Na7B Bi12 35.1(6) 1_556 1_556
O45 Na7B Bi12 129.6(13) 1_556 1_556
O44 Na7B Bi12 40.8(5) 3_656 1_556
Na7B Na7B Bi12 120.0(19) 3_657 1_556
O37 Na7B Bi12 80.1(8) 1_556 1_556
O66B Na7B Bi12 84.7(11) 1_546 1_556
Na76 Na7B Na63 32.0(18) . 1_546
Na76 Na7B Na63 124.0(17) 3_657 1_546
O47 Na7B Na63 145.0(13) 1_556 1_546
O45 Na7B Na63 102.2(11) 1_556 1_546
O44 Na7B Na63 92.7(9) 3_656 1_546
Na7B Na7B Na63 91.3(16) 3_657 1_546
O37 Na7B Na63 82.9(9) 1_556 1_546
O66B Na7B Na63 30.9(9) 1_546 1_546
Bi12 Na7B Na63 115.2(9) 1_556 1_546
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O37 1.745(8) .
W1 O17 1.856(8) .
W1 O27 1.887(7) .
W1 O14 1.984(8) .
W1 O41 1.988(8) .
W1 O29 2.147(7) .
W2 O13 1.736(8) .
W2 O18 1.766(7) .
W2 O14 1.955(7) .
W2 O15 1.958(7) .
W2 O30 2.095(8) .
W2 O29 2.130(7) .
W2 Na59 3.704(5) 2_545
W3 O46 1.717(8) .
W3 O30 1.857(8) .
W3 O34 1.919(8) 1_455
W3 O41 1.944(8) .
W3 O36 1.953(8) .
W3 O29 2.240(7) .
W3 Na58 3.72(3) 2_545
W4 O26 1.746(8) .
W4 O16 1.789(8) .
W4 O39 1.886(8) .
W4 O38 2.058(8) .
W4 O28 2.064(7) .
W4 O32 2.127(8) 1_655
W5 O40 1.730(8) .
W5 O23 1.834(8) 3
W5 O15 1.874(8) .
W5 O25 2.011(9) 1_455
W5 O21 2.012(9) .
W5 O31 2.155(7) .
W6 O22 1.749(8) .
W6 O28 1.858(8) .
W6 O35 1.891(7) 1_655
W6 O33 1.985(8) .
W6 O17 2.016(8) 1_655
W6 O32 2.177(7) 1_655
W7 O45 1.733(9) .
W7 O44 1.827(8) .
W7 O21 1.929(8) 1_655
W7 O39 1.968(8) .
W7 O42 2.001(10) .
W7 O31 2.152(8) 1_655
W8 O43 1.746(8) .
W8 O36 1.893(8) 1_655
W8 O38 1.894(9) .
W8 O20 1.914(8) .
W8 O33 1.924(8) .
W8 O32 2.220(7) 1_655
W8 Na54 3.67(2) 3_665
W9 O24 1.742(9) .
W9 O42 1.886(11) .
W9 O20 1.901(8) .
W9 O34 1.925(10) .
W9 O25 1.932(9) .
W9 O31 2.210(8) 1_655
W9A O34 1.64(2) .
W9A O24 1.639(14) .
W9A O25 1.893(14) .
W9A O20 2.017(18) .
W9A O42 2.23(3) .
W9A O31 2.387(17) 1_655
Zn10 O32 1.936(7) .
Zn10 O19 1.939(8) 3
Zn10 O29 1.945(8) .
Zn10 O31 1.947(7) .
Zn11 O16 2.033(7) 3_655
Zn11 O18 2.044(7) .
Zn11 O19 2.105(8) .
Zn11 O19 2.116(7) 3
Zn11 O35 2.157(7) 3
Zn11 O27 2.195(7) .
Zn11 Bi12 3.2676(15) .
Zn11 Bi12 3.2821(14) 3
Bi12 O47 1.946(17) .
Bi12 O19 2.071(8) .
Bi12 O23 2.178(8) .
Bi12 O44 2.182(8) 3_655
Bi12 O35 2.237(7) .
Bi12 O27 2.248(8) .
Bi12 Zn11 3.2822(14) 3
Bi12 Na7B 3.33(3) 1_554
O13 Na59 2.361(9) 2_545
O16 Zn11 2.033(7) 3_655
O17 W6 2.016(8) 1_455
O19 Zn10 1.939(8) 3
O19 Zn11 2.116(7) 3
O20 Na75 2.98(4) .
O21 W7 1.929(8) 1_455
O23 W5 1.834(8) 3
O25 W5 2.011(9) 1_655
O26 Na58 2.40(3) 3_665
O28 Na49 2.495(9) 3_665
O30 Na58 2.47(3) 2_545
O31 W7 2.152(8) 1_455
O31 W9 2.210(8) 1_455
O31 W9A 2.387(17) 1_455
O32 W4 2.127(8) 1_455
O32 W6 2.177(7) 1_455
O32 W8 2.220(7) 1_455
O34 W3 1.919(8) 1_655
O35 W6 1.891(7) 1_455
O35 Zn11 2.157(7) 3
O36 W8 1.893(8) 1_455
O37 Na7B 2.80(4) 1_554
O38 Na54 2.33(2) 3_665
O38 Na75 2.90(4) .
O39 Na7A 3.01(4) .
O42 Na75 3.00(4) .
O44 Bi12 2.182(8) 3_655
O44 Na7B 2.70(4) 3_656
O44 Na76 2.97(4) 3_656
O45 Na7B 2.49(4) 1_554
O46 Na63 2.364(11) 2_545
O47 Na7B 2.36(4) 1_554
Na48 O52 2.277(18) .
Na48 O52A 2.35(4) .
Na48 O68 2.366(10) 2
Na48 O50 2.368(9) .
Na48 O53 2.381(17) .
Na48 O70 2.384(10) 1_455
Na48 O67 2.419(9) 1_455
Na48 O53A 2.45(3) .
Na48 Na49 3.345(7) .
Na48 Na63 3.441(11) 2_545
Na48 Na54 3.49(4) .
Na49 O69 2.358(10) 1_455
Na49 O67 2.357(10) 1_455
Na49 O51A 2.40(4) .
Na49 O51 2.39(2) .
Na49 O50 2.399(10) .
Na49 O60 2.407(9) 2
Na49 O28 2.495(9) 3_665
Na49 Na59 3.163(8) 2
O51 Na59 2.37(2) 2
O52 Na54 1.72(5) .
O53 Na63 2.92(3) 2_545
O51A Na59 2.59(3) 2
O52A Na54 2.44(5) .
O53A Na54 2.61(6) .
Na54 O55 1.58(3) .
Na54 O55A 1.93(13) .
Na54 O57 2.19(4) .
Na54 O38 2.33(2) 3_665
Na54 O56 2.64(4) 3_665
Na54 Na75 3.36(5) 3_665
Na54 W8 3.67(2) 3_665
Na54 Na7A 3.70(5) 3_665
O56 Na54 2.64(4) 3_665
O57 Na58 1.99(5) .
O57 Na7A 3.00(5) 3_665
Na58 O74 2.09(4) .
Na58 O65 2.14(4) .
Na58 O26 2.40(3) 3_665
Na58 O30 2.47(3) 2
Na58 O73 2.55(3) .
Na58 Na7A 3.17(5) 3_665
Na58 Na75 3.62(4) 3_665
Na58 W3 3.72(3) 2
Na59 O13 2.361(9) 2
Na59 O51 2.37(2) 2_545
Na59 O60 2.368(9) .
Na59 O62 2.44(2) .
Na59 O69 2.452(11) 2_645
Na59 O61 2.48(2) .
Na59 O61A 2.48(4) .
Na59 O51A 2.59(3) 2_545
Na59 Na49 3.163(8) 2_545
Na59 W2 3.704(5) 2
Na59 Na7A 4.17(4) .
O60 Na49 2.407(9) 2_545
O61 O61A 0.85(4) .
O61 O61B 1.34(6) .
O61A O61B 1.24(6) .
O62 Na75 2.60(4) .
O62 Na7A 2.87(5) .
Na63 O66B 2.15(4) .
Na63 O66 2.314(16) .
Na63 O46 2.364(11) 2
Na63 O68 2.412(10) 1_565
Na63 O64 2.49(2) .
Na63 O70 2.496(13) 2_655
Na63 Na76 2.87(4) 1_564
Na63 O53 2.92(3) 2
Na63 O65 2.97(2) .
Na63 Na48 3.441(11) 2
Na63 Na7B 4.02(4) 1_564
O66 O66B 1.35(4) .
O66B Na76 2.18(6) 1_564
O66B Na7B 2.87(5) 1_564
O67 Na49 2.357(10) 1_655
O67 Na48 2.419(9) 1_655
O68 Na48 2.366(10) 2_545
O68 Na63 2.412(10) 1_545
O69 Na49 2.358(10) 1_655
O69 Na59 2.452(11) 2_655
O70 Na48 2.384(10) 1_655
O70 Na63 2.496(13) 2_645
O72 O72A 0.95(9) .
O72A O74 1.64(8) .
O72A Na7A 2.37(12) 3_665
O74 Na7A 2.43(6) 3_665
Na75 Na7A 0.74(4) .
Na75 Na54 3.36(5) 3_665
Na75 Na58 3.62(4) 3_665
Na7A O72A 2.37(12) 3_665
Na7A O74 2.43(6) 3_665
Na7A O57 3.00(5) 3_665
Na7A Na58 3.17(5) 3_665
Na7A Na54 3.70(5) 3_665
Na76 Na7B 1.48(6) .
Na76 O66B 2.18(6) 1_546
Na76 Na7B 2.35(5) 3_657
Na76 Na76 2.85(8) 3_657
Na76 Na63 2.87(4) 1_546
Na76 O44 2.97(4) 3_656
Na7B Na76 2.35(5) 3_657
Na7B O47 2.36(4) 1_556
Na7B O45 2.49(4) 1_556
Na7B O44 2.70(4) 3_656
Na7B Na7B 2.71(7) 3_657
Na7B O37 2.80(4) 1_556
Na7B O66B 2.87(5) 1_546
Na7B Bi12 3.33(3) 1_556
Na7B Na63 4.02(4) 1_546
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_4
O18 W2 O13 Na59 -27.2(6) . 2_545
O14 W2 O13 Na59 -123.0(5) . 2_545
O15 W2 O13 Na59 68.7(6) . 2_545
O30 W2 O13 Na59 152.8(5) . 2_545
O29 W2 O13 Na59 177.5(8) . 2_545
O40 W5 O15 W2 125.1(10) . .
O23 W5 O15 W2 23.0(10) 3 .
O25 W5 O15 W2 -141.9(10) 1_455 .
O21 W5 O15 W2 -68.9(16) . .
O31 W5 O15 W2 -68.2(10) . .
O26 W4 O16 Zn11 148.2(7) . 3_655
O39 W4 O16 Zn11 -108.8(7) . 3_655
O38 W4 O16 Zn11 -5.7(16) . 3_655
O28 W4 O16 Zn11 54.0(7) . 3_655
O32 W4 O16 Zn11 -19.1(7) 1_655 3_655
O37 W1 O17 W6 136.4(11) . 1_455
O27 W1 O17 W6 33.6(11) . 1_455
O14 W1 O17 W6 -47.8(19) . 1_455
O41 W1 O17 W6 -130.8(11) . 1_455
O29 W1 O17 W6 -55.0(11) . 1_455
O13 W2 O18 Zn11 -148.0(6) . .
O14 W2 O18 Zn11 -49.7(7) . .
O15 W2 O18 Zn11 110.9(6) . .
O30 W2 O18 Zn11 32.1(17) . .
O29 W2 O18 Zn11 25.0(6) . .
Na59 W2 O18 Zn11 -161.5(7) 2_545 .
O34 W9A O24 W9 162(3) . .
O25 W9A O24 W9 -93(2) . .
O20 W9A O24 W9 68(2) . .
O42 W9A O24 W9 -9.8(17) . .
O31 W9A O24 W9 -22.4(15) 1_655 .
O42 W9 O24 W9A 168(2) . .
O20 W9 O24 W9A -100(2) . .
O34 W9 O24 W9A -14(2) . .
O25 W9 O24 W9A 74(2) . .
O31 W9 O24 W9A 108(3) 1_655 .
O34 W9A O25 W9 -139(2) . .
O24 W9A O25 W9 101(2) . .
O20 W9A O25 W9 -38(2) . .
O42 W9A O25 W9 12.4(16) . .
O31 W9A O25 W9 -54.3(18) 1_655 .
O34 W9A O25 W5 -72.2(12) . 1_655
O24 W9A O25 W5 168.0(9) . 1_655
O20 W9A O25 W5 29(3) . 1_655
O42 W9A O25 W5 79.4(6) . 1_655
O31 W9A O25 W5 12.7(8) 1_655 1_655
O16 W4 O26 Na58 120.2(13) . 3_665
O39 W4 O26 Na58 21.1(13) . 3_665
O38 W4 O26 Na58 -67.6(13) . 3_665
O28 W4 O26 Na58 -151.0(13) . 3_665
O32 W4 O26 Na58 -104.4(16) 1_655 3_665
O37 W1 O27 Zn11 147.9(6) . .
O17 W1 O27 Zn11 -110.3(6) . .
O14 W1 O27 Zn11 53.3(6) . .
O41 W1 O27 Zn11 -11.4(16) . .
O29 W1 O27 Zn11 -20.4(6) . .
O37 W1 O27 Bi12 -63.9(5) . .
O17 W1 O27 Bi12 37.9(4) . .
O14 W1 O27 Bi12 -158.5(4) . .
O41 W1 O27 Bi12 136.8(10) . .
O29 W1 O27 Bi12 127.8(4) . .
O22 W6 O28 W4 -177.3(4) . .
O35 W6 O28 W4 80.0(4) 1_655 .
O33 W6 O28 W4 -81.3(4) . .
O17 W6 O28 W4 -1.4(12) 1_655 .
O32 W6 O28 W4 -7.3(3) 1_655 .
O22 W6 O28 Na49 25.9(6) . 3_665
O35 W6 O28 Na49 -76.7(5) 1_655 3_665
O33 W6 O28 Na49 121.9(5) . 3_665
O17 W6 O28 Na49 -158.2(8) 1_655 3_665
O32 W6 O28 Na49 -164.0(5) 1_655 3_665
O46 W3 O30 W2 -172.5(5) . .
O34 W3 O30 W2 86.2(4) 1_455 .
O41 W3 O30 W2 -74.3(4) . .
O36 W3 O30 W2 11.0(13) . .
O29 W3 O30 W2 -1.4(4) . .
Na58 W3 O30 W2 166.7(10) 2_545 .
O46 W3 O30 Na58 20.8(9) . 2_545
O34 W3 O30 Na58 -80.5(9) 1_455 2_545
O41 W3 O30 Na58 119.0(9) . 2_545
O36 W3 O30 Na58 -155.7(11) . 2_545
O29 W3 O30 Na58 -168.1(9) . 2_545
O24 W9A O34 W3 -108(2) . 1_655
O25 W9A O34 W3 143.4(16) . 1_655
O20 W9A O34 W3 -7(2) . 1_655
O42 W9A O34 W3 54(3) . 1_655
O31 W9A O34 W3 73.4(19) 1_655 1_655
O24 W9A O34 W9 -153(4) . .
O25 W9A O34 W9 99(3) . .
O20 W9A O34 W9 -52(3) . .
O42 W9A O34 W9 10(2) . .
O31 W9A O34 W9 29(3) 1_655 .
O17 W1 O37 Na7B -86.4(9) . 1_554
O27 W1 O37 Na7B 6.7(9) . 1_554
O14 W1 O37 Na7B 94.8(9) . 1_554
O41 W1 O37 Na7B -178.8(9) . 1_554
O29 W1 O37 Na7B 139.4(13) . 1_554
O43 W8 O38 W4 175.3(5) . .
O36 W8 O38 W4 -12.6(14) 1_655 .
O20 W8 O38 W4 -84.6(4) . .
O33 W8 O38 W4 78.5(4) . .
O32 W8 O38 W4 4.7(4) 1_655 .
Na54 W8 O38 W4 161.7(13) 3_665 .
O43 W8 O38 Na54 13.7(12) . 3_665
O36 W8 O38 Na54 -174.3(14) 1_655 3_665
O20 W8 O38 Na54 113.8(12) . 3_665
O33 W8 O38 Na54 -83.2(12) . 3_665
O32 W8 O38 Na54 -157.0(12) 1_655 3_665
O43 W8 O38 Na75 -72.7(8) . .
O36 W8 O38 Na75 99.3(13) 1_655 .
O20 W8 O38 Na75 27.4(8) . .
O33 W8 O38 Na75 -169.5(8) . .
O32 W8 O38 Na75 116.7(8) 1_655 .
Na54 W8 O38 Na75 -86.4(14) 3_665 .
O26 W4 O39 W7 130.3(10) . .
O16 W4 O39 W7 25.1(10) . .
O38 W4 O39 W7 -137.4(10) . .
O28 W4 O39 W7 -76.7(16) . .
O32 W4 O39 W7 -64.5(10) 1_655 .
O26 W4 O39 Na7A -51.6(10) . .
O16 W4 O39 Na7A -156.9(10) . .
O38 W4 O39 Na7A 40.7(10) . .
O28 W4 O39 Na7A 101.4(14) . .
O32 W4 O39 Na7A 113.5(10) 1_655 .
O24 W9 O42 W7 -171.0(5) . .
O20 W9 O42 W7 87.7(5) . .
O34 W9 O42 W7 14.7(15) . .
O25 W9 O42 W7 -73.0(5) . .
O31 W9 O42 W7 -0.3(4) 1_655 .
O24 W9 O42 W9A -40(6) . .
O20 W9 O42 W9A -142(6) . .
O34 W9 O42 W9A 145(7) . .
O25 W9 O42 W9A 58(6) . .
O31 W9 O42 W9A 130(6) 1_655 .
O24 W9 O42 Na75 74.8(7) . .
O20 W9 O42 Na75 -26.4(6) . .
O34 W9 O42 Na75 -99.5(13) . .
O25 W9 O42 Na75 172.9(6) . .
O31 W9 O42 Na75 -114.5(6) 1_655 .
O45 W7 O44 Bi12 -140.4(6) . 3_655
O21 W7 O44 Bi12 -40.0(7) 1_655 3_655
O39 W7 O44 Bi12 121.2(6) . 3_655
O42 W7 O44 Bi12 55.0(17) . 3_655
O31 W7 O44 Bi12 34.9(6) 1_655 3_655
O45 W7 O44 Na7B -20.8(10) . 3_656
O21 W7 O44 Na7B 79.5(10) 1_655 3_656
O39 W7 O44 Na7B -119.2(10) . 3_656
O42 W7 O44 Na7B 174.6(15) . 3_656
O31 W7 O44 Na7B 154.5(10) 1_655 3_656
O45 W7 O44 Na76 5.3(10) . 3_656
O21 W7 O44 Na76 105.7(10) 1_655 3_656
O39 W7 O44 Na76 -93.1(9) . 3_656
O42 W7 O44 Na76 -159.3(16) . 3_656
O31 W7 O44 Na76 -179.4(9) 1_655 3_656
O44 W7 O45 Na7B 41.1(12) . 1_554
O21 W7 O45 Na7B -54.2(12) 1_655 1_554
O39 W7 O45 Na7B 130.6(11) . 1_554
O42 W7 O45 Na7B -142.8(12) . 1_554
O31 W7 O45 Na7B -118.7(18) 1_655 1_554
O30 W3 O46 Na63 -109.7(9) . 2_545
O34 W3 O46 Na63 -16.4(10) 1_455 2_545
O41 W3 O46 Na63 155.3(9) . 2_545
O36 W3 O46 Na63 69.1(10) . 2_545
Na58 W3 O46 Na63 -96.6(11) 2_545 2_545
Na48 O52 Na54 O57 -7(3) . .
Na48 O52 Na54 O38 -115.3(13) . 3_665
Na48 O52 Na54 O56 132.1(15) . 3_665
Na48 O52 Na54 Na75 -133(3) . 3_665
Na48 O52 Na54 W8 -139.8(12) . 3_665
Na48 O52 Na54 Na7A -116(4) . 3_665
Na59 O61 O61A O61B 175(3) . .
O61B O61 O61A Na59 -175(3) . .
Na59 O61A O61B O61 12(7) . .
Na59 O61 O61B O61A -8(5) . .
Na63 O66 O66B Na76 -47(6) . 1_564
Na63 O66 O66B Na7B -102(4) . 1_564
O72 O72A O74 Na58 116(6) . .
Na7A O72A O74 Na58 -65(5) 3_665 .
O72 O72A O74 Na7A -179(7) . 3_665
O62 Na75 Na7A O72A -44(18) . 3_665
O38 Na75 Na7A O72A 131(15) . 3_665
O20 Na75 Na7A O72A 63(20) . 3_665
O42 Na75 Na7A O72A 37(17) . 3_665
Na54 Na75 Na7A O72A 178(15) 3_665 3_665
Na58 Na75 Na7A O72A 161(20) 3_665 3_665
O62 Na75 Na7A O74 119(12) . 3_665
O38 Na75 Na7A O74 -66(14) . 3_665
O20 Na75 Na7A O74 -134(10) . 3_665
O42 Na75 Na7A O74 -160(12) . 3_665
Na54 Na75 Na7A O74 -19(14) 3_665 3_665
Na58 Na75 Na7A O74 -35(10) 3_665 3_665
O38 Na75 Na7A O62 175(5) . .
O20 Na75 Na7A O62 107(6) . .
O42 Na75 Na7A O62 80.7(19) . .
Na54 Na75 Na7A O62 -138(4) 3_665 .
Na58 Na75 Na7A O62 -155(2) 3_665 .
O62 Na75 Na7A O57 129.9(17) . 3_665
O38 Na75 Na7A O57 -55(4) . 3_665
O20 Na75 Na7A O57 -123(5) . 3_665
O42 Na75 Na7A O57 -149.4(11) . 3_665
Na54 Na75 Na7A O57 -8(3) 3_665 3_665
Na58 Na75 Na7A O57 -25(3) 3_665 3_665
O62 Na75 Na7A O39 -133.8(19) . .
O38 Na75 Na7A O39 41(3) . .
O20 Na75 Na7A O39 -27(5) . .
O42 Na75 Na7A O39 -53.2(7) . .
Na54 Na75 Na7A O39 88(2) 3_665 .
Na58 Na75 Na7A O39 71(3) 3_665 .
O62 Na75 Na7A Na58 155(2) . 3_665
O38 Na75 Na7A Na58 -31(6) . 3_665
O20 Na75 Na7A Na58 -99(6) . 3_665
O42 Na75 Na7A Na58 -125(3) . 3_665
Na54 Na75 Na7A Na58 17(6) 3_665 3_665
O62 Na75 Na7A Na54 138(4) . 3_665
O38 Na75 Na7A Na54 -47(2) . 3_665
O20 Na75 Na7A Na54 -115(6) . 3_665
O42 Na75 Na7A Na54 -141(3) . 3_665
Na58 Na75 Na7A Na54 -17(6) 3_665 3_665
O62 Na75 Na7A Na59 -13(2) . .
O38 Na75 Na7A Na59 162(3) . .
O20 Na75 Na7A Na59 94(5) . .
O42 Na75 Na7A Na59 67.8(10) . .
Na54 Na75 Na7A Na59 -151.0(17) 3_665 .
Na58 Na75 Na7A Na59 -168(4) 3_665 .
O66B Na76 Na7B Na76 -152(2) 1_546 3_657
Na7B Na76 Na7B Na76 0.000(3) 3_657 3_657
Na63 Na76 Na7B Na76 166(3) 1_546 3_657
O44 Na76 Na7B Na76 -91.4(15) 3_656 3_657
O66B Na76 Na7B O47 -59(7) 1_546 1_556
Na7B Na76 Na7B O47 93(7) 3_657 1_556
Na76 Na76 Na7B O47 93(7) 3_657 1_556
Na63 Na76 Na7B O47 -101(6) 1_546 1_556
O44 Na76 Na7B O47 2(6) 3_656 1_556
O66B Na76 Na7B O45 127.9(19) 1_546 1_556
Na7B Na76 Na7B O45 -80.0(17) 3_657 1_556
Na76 Na76 Na7B O45 -80.0(17) 3_657 1_556
Na63 Na76 Na7B O45 86(3) 1_546 1_556
O44 Na76 Na7B O45 -171.4(19) 3_656 1_556
O66B Na76 Na7B O44 -60.6(18) 1_546 3_656
Na7B Na76 Na7B O44 91.4(14) 3_657 3_656
Na76 Na76 Na7B O44 91.4(14) 3_657 3_656
Na63 Na76 Na7B O44 -103(3) 1_546 3_656
O66B Na76 Na7B Na7B -152(2) 1_546 3_657
Na76 Na76 Na7B Na7B 0.000(12) 3_657 3_657
Na63 Na76 Na7B Na7B 166(3) 1_546 3_657
O44 Na76 Na7B Na7B -91.4(15) 3_656 3_657
O66B Na76 Na7B O37 50(3) 1_546 1_556
Na7B Na76 Na7B O37 -158(2) 3_657 1_556
Na76 Na76 Na7B O37 -158(2) 3_657 1_556
Na63 Na76 Na7B O37 8(4) 1_546 1_556
O44 Na76 Na7B O37 111.0(18) 3_656 1_556
Na7B Na76 Na7B O66B 152(2) 3_657 1_546
Na76 Na76 Na7B O66B 152(2) 3_657 1_546
Na63 Na76 Na7B O66B -42(2) 1_546 1_546
O44 Na76 Na7B O66B 60.6(18) 3_656 1_546
O66B Na76 Na7B Bi12 -44(3) 1_546 1_556
Na7B Na76 Na7B Bi12 108(2) 3_657 1_556
Na76 Na76 Na7B Bi12 108(2) 3_657 1_556
Na63 Na76 Na7B Bi12 -86(3) 1_546 1_556
O44 Na76 Na7B Bi12 17.0(15) 3_656 1_556
O66B Na76 Na7B Na63 42(2) 1_546 1_546
Na7B Na76 Na7B Na63 -166(3) 3_657 1_546
Na76 Na76 Na7B Na63 -166(3) 3_657 1_546
O44 Na76 Na7B Na63 103(3) 3_656 1_546
