#------------------------------------------------------------------------------
#$Date: 2024-01-11 10:34:38 +0200 (Thu, 11 Jan 2024) $
#$Revision: 289031 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/51/4345121.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_4345121
loop_
_publ_author_name
'Vonci, Michele'
'Giansiracusa, Marcus J.'
'Van den Heuvel, Willem'
'Gable, Robert W.'
'Moubaraki, Boujemaa'
'Murray, Keith S.'
'Yu, Dehong'
'Mole, Richard A.'
'Soncini, Alessandro'
'Boskovic, Colette'
_publ_section_title
;
 Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid
 Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio
 Study.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              378
_journal_page_last               394
_journal_paper_doi               10.1021/acs.inorgchem.6b02312
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         '9(Na), Nd O67 W10, 3.5(O)'
_chemical_formula_sum            'H69 Na9 Nd O70.5 W10'
_chemical_formula_weight         3387.20
_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'
_audit_creation_date             2016-01-22
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                113.503(2)
_cell_angle_beta                 97.778(2)
_cell_angle_gamma                90.3643(19)
_cell_formula_units_Z            4
_cell_length_a                   18.2697(5)
_cell_length_b                   18.4818(4)
_cell_length_c                   20.8278(6)
_cell_measurement_reflns_used    17209
_cell_measurement_temperature    90.00(10)
_cell_measurement_theta_max      74.8220
_cell_measurement_theta_min      3.4380
_cell_volume                     6375.8(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      90.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.2273
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -47.00   35.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.4657   37.0000  -90.0000 82

#__ type_ start__ end____ width___ exp.time_
  2 omega    3.00   40.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.4657   37.0000 -180.0000 37

#__ type_ start__ end____ width___ exp.time_
  3 omega  -12.00   71.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       38.4657  -57.0000  -90.0000 83

#__ type_ start__ end____ width___ exp.time_
  4 omega   39.00   73.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       38.4657 -125.0000  -90.0000 34

#__ type_ start__ end____ width___ exp.time_
  5 omega   41.00   86.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       38.4657 -125.0000 -180.0000 45

#__ type_ start__ end____ width___ exp.time_
  6 omega   31.00   89.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -30.0000 -150.0000 58

#__ type_ start__ end____ width___ exp.time_
  7 omega  136.00  174.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249   45.0000  -60.0000 38

#__ type_ start__ end____ width___ exp.time_
  8 omega   64.00  177.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -15.0000  120.0000 113

#__ type_ start__ end____ width___ exp.time_
  9 omega   90.00  115.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249 -111.0000  -60.0000 25

#__ type_ start__ end____ width___ exp.time_
 10 omega   61.00   86.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -45.0000    0.0000 25

#__ type_ start__ end____ width___ exp.time_
 11 omega   56.00  102.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -94.0000   30.0000 46

#__ type_ start__ end____ width___ exp.time_
 12 omega   60.00  113.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249 -111.0000  120.0000 53

#__ type_ start__ end____ width___ exp.time_
 13 omega   50.00   82.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -30.0000    0.0000 32

#__ type_ start__ end____ width___ exp.time_
 14 omega   30.00   83.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -30.0000  -30.0000 53

#__ type_ start__ end____ width___ exp.time_
 15 omega   30.00   91.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -30.0000  -90.0000 61

#__ type_ start__ end____ width___ exp.time_
 16 omega   39.00  134.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -77.0000 -150.0000 95

#__ type_ start__ end____ width___ exp.time_
 17 omega   50.00   93.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       38.4657 -125.0000   30.0000 43

#__ type_ start__ end____ width___ exp.time_
 18 omega   45.00   71.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -94.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 19 omega   34.00   87.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -45.0000   60.0000 53

#__ type_ start__ end____ width___ exp.time_
 20 omega   32.00   58.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -30.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 21 omega   29.00   56.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -15.0000  120.0000 27

#__ type_ start__ end____ width___ exp.time_
 22 omega   31.00   91.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249 -111.0000   30.0000 60

#__ type_ start__ end____ width___ exp.time_
 23 omega   36.00  106.00   1.0000    2.1000
omega____ theta____ kappa____ phi______ frames
    -      111.4249  -94.0000 -180.0000 70

#__ type_ start__ end____ width___ exp.time_
 24 omega  -43.00   38.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.4657   37.0000  150.0000 81

#__ type_ start__ end____ width___ exp.time_
 25 omega  -98.00  -21.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.4657  -37.0000    0.0000 77
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0779164000
_diffrn_orient_matrix_UB_12      -0.0257289000
_diffrn_orient_matrix_UB_13      0.0162313000
_diffrn_orient_matrix_UB_21      -0.0263236000
_diffrn_orient_matrix_UB_22      -0.0234392000
_diffrn_orient_matrix_UB_23      0.0567113000
_diffrn_orient_matrix_UB_31      -0.0226122000
_diffrn_orient_matrix_UB_32      -0.0841865000
_diffrn_orient_matrix_UB_33      -0.0563605000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_unetI/netI     0.0645
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            44994
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.226
_diffrn_reflns_theta_min         3.121
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    40.248
_exptl_absorpt_correction_T_max  0.250
_exptl_absorpt_correction_T_min  0.034
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    3.529
_exptl_crystal_description
;
;
_exptl_crystal_F_000             6128
_exptl_crystal_size_max          0.1759
_exptl_crystal_size_mid          0.0802
_exptl_crystal_size_min          0.0765
_refine_diff_density_max         3.568
_refine_diff_density_min         -2.726
_refine_diff_density_rms         0.402
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1630
_refine_ls_number_reflns         25518
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0639P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1274
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21977
_reflns_number_total             25518
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b02312_si_002.cif
_cod_data_source_block           Nd2W20
_cod_depositor_comments
;

2024-01-11
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'H138 Na18 Nd2 O141 W20'
_cod_original_formula_weight         6774.40
_cod_original_formula_moiety         'Na18 Nd2 O134 W20, 7(O)'
_cod_original_formula_units_Z            2
_cod_database_code               4345121
_chemical_oxdiff_formula         'Nd1 W10 O71 Na9'
_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.
;
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(O17) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.026
Uanis(O20') \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.026
Uanis(O35') \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.026
;
_shelx_shelxl_version_number     2014/7
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_adp
Na4 Na 0.8459(2) 0.2224(3) 0.2538(2) 0.0256(8) Uani 1 1 d .
Na18 Na 0.7161(2) 0.5920(3) 1.0771(2) 0.0251(8) Uani 1 1 d .
Na10 Na 0.6834(3) 0.4652(3) 0.5847(2) 0.0282(9) Uani 1 1 d .
Na17 Na 0.8171(2) 0.6171(3) 0.9559(2) 0.0249(8) Uani 1 1 d .
Na13 Na 0.7105(2) -0.2789(3) 0.2585(2) 0.0261(8) Uani 1 1 d .
Na16 Na 0.8068(2) -0.2223(3) -0.2386(2) 0.0257(8) Uani 1 1 d .
Na8 Na 0.6591(2) 0.2879(3) 0.7694(2) 0.0276(8) Uani 1 1 d .
Na3 Na 0.9134(2) 0.2312(3) 0.1027(2) 0.0281(9) Uani 1 1 d .
Na15 Na 0.7792(2) -0.0847(3) -0.0655(2) 0.0259(8) Uani 1 1 d .
Na5 Na 0.9474(2) 0.1940(3) 0.4025(2) 0.0250(8) Uani 1 1 d .
Na1 Na 0.5815(3) 0.2759(3) -0.0885(2) 0.0290(9) Uani 1 1 d .
Na6 Na 0.8110(2) 0.0754(3) 0.4425(2) 0.0289(9) Uani 1 1 d .
Na11 Na 0.7582(3) 0.5584(3) 0.4633(2) 0.0309(9) Uani 1 1 d .
Na2 Na 0.7489(2) 0.2574(3) 0.0087(2) 0.0267(9) Uani 1 1 d .
Na14 Na 0.6731(3) -0.1171(3) 0.0439(2) 0.0283(9) Uani 1 1 d .
Na9 Na 0.5532(3) 0.2916(3) 0.5859(2) 0.0296(9) Uani 1 1 d .
Na12 Na 0.7512(3) -0.1508(3) 0.4231(2) 0.0322(9) Uani 1 1 d .
Na7 Na 0.6956(2) 0.1491(3) 0.5845(2) 0.0283(9) Uani 1 1 d .
Nd1 Nd 0.52090(3) 0.21271(3) 0.24506(3) 0.02097(11) Uani 1 1 d .
O32' O 0.9867(4) 0.4434(4) 0.5912(4) 0.0234(14) Uani 1 1 d .
O35' O 1.0696(4) 0.5360(5) 0.7097(4) 0.0254(14) Uani 1 1 d U
O7 O 0.4363(4) -0.0251(5) 0.1518(4) 0.0239(14) Uani 1 1 d .
O4 O 0.6237(4) -0.0166(5) 0.3243(4) 0.0240(14) Uani 1 1 d .
O27 O 0.4887(4) 0.4539(5) 0.3425(4) 0.0227(14) Uani 1 1 d .
O33' O 0.8663(4) 0.4893(4) 0.6470(4) 0.0226(14) Uani 1 1 d .
O23 O 0.5468(4) 0.2844(5) 0.0826(4) 0.0241(15) Uani 1 1 d .
O5 O 0.5389(4) -0.0938(4) 0.2019(4) 0.0233(14) Uani 1 1 d .
O3 O 0.5064(4) 0.0238(4) 0.3858(4) 0.0217(14) Uani 1 1 d .
O2 O 0.4197(4) -0.0525(5) 0.2658(4) 0.0263(15) Uani 1 1 d .
O32 O 0.4563(4) 0.4026(4) 0.1054(4) 0.0237(14) Uani 1 1 d .
O35 O 0.6004(4) 0.4316(5) 0.1506(4) 0.0246(14) Uani 1 1 d .
O27' O 0.8463(4) 0.4783(5) 0.7663(4) 0.0236(14) Uani 1 1 d .
O13 O 0.6413(4) 0.0137(4) 0.2132(4) 0.0234(14) Uani 1 1 d .
O25' O 0.8859(4) 0.3370(4) 0.5867(4) 0.0241(14) Uani 1 1 d .
O42 O 0.8746(5) 0.3279(5) 0.0547(4) 0.0314(17) Uani 1 1 d .
O37 O 0.4517(5) 0.2393(5) -0.1037(4) 0.0267(15) Uani 1 1 d .
O25 O 0.3729(4) 0.3385(4) 0.1654(4) 0.0230(14) Uani 1 1 d .
O18 O 0.5392(4) 0.0823(5) 0.1540(4) 0.0261(15) Uani 1 1 d .
O47 O 0.7401(4) 0.1577(5) 0.1638(4) 0.0273(15) Uani 1 1 d .
O8 O 0.3023(4) 0.0102(4) 0.2103(4) 0.0223(14) Uani 1 1 d .
O83 O 0.7785(5) -0.1678(5) -0.0061(4) 0.0284(16) Uani 1 1 d .
O51 O 1.0677(5) 0.1580(5) 0.3745(4) 0.0275(15) Uani 1 1 d .
O80 O 0.6264(5) -0.3382(5) 0.1539(4) 0.0285(16) Uani 1 1 d .
O22' O 1.0837(4) 0.3717(5) 0.7755(4) 0.0232(14) Uani 1 1 d .
O96 O 0.7230(4) 0.6807(5) 1.0251(4) 0.0264(15) Uani 1 1 d .
O86 O 0.7875(4) 0.0318(5) -0.0803(4) 0.0272(15) Uani 1 1 d .
O98 O 0.7100(4) 0.4789(5) 1.0985(4) 0.0265(15) Uani 1 1 d .
O41 O 0.7968(4) 0.1639(5) 0.0496(4) 0.0275(15) Uani 1 1 d .
O39 O 0.6265(5) 0.1807(5) -0.0417(4) 0.0300(17) Uani 1 1 d .
O29 O 0.6625(4) 0.4003(4) 0.2581(4) 0.0215(13) Uani 1 1 d .
O48 O 0.7590(5) 0.2766(5) 0.3332(4) 0.0307(17) Uani 1 1 d .
O30' O 1.1870(4) 0.4848(4) 0.7776(4) 0.0223(14) Uani 1 1 d .
O28 O 0.6437(4) 0.4933(5) 0.4003(4) 0.0270(15) Uani 1 1 d .
O85 O 0.8685(5) -0.0126(5) 0.0397(5) 0.0341(18) Uani 1 1 d .
O64 O 0.4358(5) 0.3353(5) 0.6150(4) 0.0276(15) Uani 1 1 d .
O24 O 0.3936(4) 0.2467(4) 0.0216(4) 0.0228(14) Uani 1 1 d .
O94 O 0.7731(4) 0.6864(5) 0.8888(4) 0.0300(17) Uani 1 1 d .
O84 O 0.6486(5) -0.0587(5) -0.0413(4) 0.0313(17) Uani 1 1 d .
O20 O 0.4228(4) 0.3092(5) 0.2783(4) 0.0234(14) Uani 1 1 d .
O21' O 0.9482(4) 0.4210(4) 0.8387(4) 0.0241(14) Uani 1 1 d .
O53 O 0.9387(4) 0.0839(5) 0.4331(4) 0.0257(15) Uani 1 1 d .
O62 O 0.7585(5) 0.3626(5) 0.8574(4) 0.0286(16) Uani 1 1 d .
O55 O 0.6889(5) 0.0475(6) 0.4725(4) 0.0341(18) Uani 1 1 d .
O52 O 0.8290(5) 0.2257(5) 0.4460(4) 0.0290(16) Uani 1 1 d .
O91 O 0.8047(4) -0.1066(5) -0.2633(4) 0.0279(15) Uani 1 1 d .
O44 O 1.0414(5) 0.2722(5) 0.1151(4) 0.0282(16) Uani 1 1 d .
O21 O 0.5846(4) 0.3397(5) 0.3298(4) 0.0242(14) Uani 1 1 d .
O56 O 0.6846(5) 0.0424(6) 0.6381(5) 0.0332(18) Uani 1 1 d .
O79 O 0.6997(5) -0.3968(5) 0.2813(4) 0.0285(16) Uani 1 1 d .
O67 O 0.7622(5) 0.5650(5) 0.5807(4) 0.0297(16) Uani 1 1 d .
O49 O 0.9228(5) 0.3002(5) 0.3664(4) 0.0283(16) Uani 1 1 d .
O30 O 0.7053(4) 0.3125(5) 0.1215(4) 0.0262(15) Uani 1 1 d .
O19' O 0.9931(4) 0.2672(4) 0.6404(3) 0.0191(13) Uani 1 1 d .
O82 O 0.7237(5) -0.1642(6) 0.1327(4) 0.0344(18) Uani 1 1 d .
O46 O 0.8504(4) 0.3173(5) 0.1994(4) 0.0271(15) Uani 1 1 d .
O38 O 0.5389(5) 0.3992(5) -0.0105(4) 0.0322(17) Uani 1 1 d .
O28' O 0.9251(4) 0.5790(4) 0.9008(4) 0.0216(13) Uani 1 1 d .
O26 O 0.3309(4) 0.4341(5) 0.3004(4) 0.0242(14) Uani 1 1 d .
O90 O 0.7074(5) -0.2901(5) -0.3339(4) 0.0291(16) Uani 1 1 d .
O95 O 0.8505(5) 0.5607(5) 1.0403(4) 0.0295(16) Uani 1 1 d .
O20' O 0.8565(4) 0.3228(5) 0.7039(4) 0.0251(14) Uani 1 1 d U
O93 O 0.7369(5) 0.5121(6) 0.8535(5) 0.0375(19) Uani 1 1 d .
O36' O 0.9613(4) 0.6054(5) 0.6409(4) 0.0243(14) Uani 1 1 d .
O97 O 0.6135(6) 0.5343(6) 0.9874(5) 0.045(2) Uani 1 1 d .
O19 O 0.4542(4) 0.2133(5) 0.1347(4) 0.0253(15) Uani 1 1 d .
O12 O 0.7425(4) 0.0896(5) 0.3407(4) 0.0260(15) Uani 1 1 d .
O69 O 0.7858(5) 0.6482(5) 0.4153(4) 0.0307(17) Uani 1 1 d .
O24' O 1.0101(4) 0.2807(5) 0.5157(4) 0.0260(15) Uani 1 1 d .
O73 O 0.8102(5) -0.1931(5) 0.5113(5) 0.0338(17) Uani 1 1 d .
O36 O 0.5145(4) 0.5627(5) 0.1679(4) 0.0261(15) Uani 1 1 d .
O87 O 0.7095(4) -0.1873(5) -0.1681(4) 0.0274(15) Uani 1 1 d .
O78 O 0.7972(4) -0.3076(5) 0.1745(4) 0.0237(14) Uani 1 1 d .
O15 O 0.4071(4) 0.1286(5) 0.2238(4) 0.0266(16) Uani 1 1 d .
O1 O 0.5245(4) -0.1440(5) 0.3123(4) 0.0283(16) Uani 1 1 d .
O92 O 0.9127(5) -0.2441(5) -0.2955(4) 0.0317(17) Uani 1 1 d .
O76 O 0.6401(5) -0.2268(5) 0.3538(4) 0.0322(17) Uani 1 1 d .
O66 O 0.7023(5) 0.3704(5) 0.4769(4) 0.0356(18) Uani 1 1 d .
O74 O 0.6682(6) -0.0841(6) 0.5052(5) 0.041(2) Uani 1 1 d .
O81 O 0.7555(6) -0.0043(6) 0.1192(5) 0.042(2) Uani 1 1 d .
O77 O 0.7141(6) -0.1405(6) 0.2851(8) 0.058(3) Uani 1 1 d .
O31 O 0.5166(4) 0.3678(4) 0.2117(4) 0.0222(14) Uani 1 1 d .
O31' O 0.9680(4) 0.4313(5) 0.7098(4) 0.0276(16) Uani 1 1 d .
O6 O 0.5209(4) 0.0550(5) 0.2754(4) 0.0229(14) Uani 1 1 d .
O34 O 0.5720(4) 0.5161(5) 0.2786(4) 0.0238(14) Uani 1 1 d .
O11 O 0.6071(4) 0.1340(4) 0.3985(4) 0.0229(14) Uani 1 1 d .
O23' O 1.0911(4) 0.3822(4) 0.6514(4) 0.0207(13) Uani 1 1 d .
O9 O 0.4023(4) 0.0972(4) 0.3390(4) 0.0231(14) Uani 1 1 d .
O34' O 0.9457(4) 0.5828(4) 0.7680(4) 0.0198(13) Uani 1 1 d .
O88 O 0.8811(5) -0.1499(5) -0.1251(4) 0.0300(16) Uani 1 1 d .
O50 O 0.8698(4) 0.1166(5) 0.2902(4) 0.0270(15) Uani 1 1 d .
O33 O 0.4287(4) 0.4869(5) 0.2334(4) 0.0248(15) Uani 1 1 d .
O60 O 0.6264(5) 0.3648(5) 0.7023(4) 0.0290(16) Uani 1 1 d .
O43 O 0.9541(5) 0.1070(5) 0.0204(4) 0.0345(19) Uani 1 1 d .
O70 O 0.7956(5) 0.4514(5) 0.3540(4) 0.0314(17) Uani 1 1 d .
O29' O 1.0506(5) 0.5243(4) 0.8306(4) 0.0248(15) Uani 1 1 d .
O40 O 0.6975(4) 0.3489(5) -0.0323(4) 0.0261(15) Uani 1 1 d .
O57 O 0.6629(5) 0.2439(5) 0.5315(4) 0.0296(16) Uani 1 1 d .
O54 O 0.8259(4) 0.1651(5) 0.5626(4) 0.0283(16) Uani 1 1 d .
O72 O 0.8388(4) -0.0407(5) 0.4688(4) 0.0277(15) Uani 1 1 d .
O63 O 0.6542(4) 0.1945(5) 0.8207(4) 0.0271(15) Uani 1 1 d .
O14 O 0.5576(4) -0.0759(5) 0.0769(4) 0.0238(14) Uani 1 1 d .
O45 O 0.9532(5) 0.1909(5) 0.1966(4) 0.0328(17) Uani 1 1 d .
O17 O 0.6355(4) 0.1680(5) 0.2902(4) 0.0264(15) Uani 1 1 d U
O22 O 0.6150(4) 0.2471(5) 0.1860(4) 0.0259(15) Uani 1 1 d .
O16 O 0.5012(4) 0.2151(5) 0.3594(4) 0.0235(14) Uani 1 1 d .
O59 O 0.7470(4) 0.2196(5) 0.7022(4) 0.0275(16) Uani 1 1 d .
O65 O 0.5644(5) 0.4112(5) 0.5641(4) 0.0328(17) Uani 1 1 d .
O26' O 0.7481(4) 0.3876(5) 0.6398(4) 0.0256(15) Uani 1 1 d .
O89 O 0.8118(4) -0.3537(5) -0.2428(4) 0.0250(14) Uani 1 1 d .
O10 O 0.4866(4) 0.1841(5) 0.4763(4) 0.0300(16) Uani 1 1 d .
O68 O 0.6573(5) 0.6620(5) 0.5030(4) 0.0334(18) Uani 1 1 d .
O75 O 0.8270(5) -0.2379(5) 0.3414(4) 0.0290(16) Uani 1 1 d .
O61 O 0.5403(5) 0.2925(5) 0.7988(4) 0.0317(17) Uani 1 1 d .
O71 O 0.8991(5) 0.5562(5) 0.4903(4) 0.0315(17) Uani 1 1 d .
W3 W 0.50072(3) 0.13579(3) 0.38892(2) 0.02155(10) Uani 1 1 d .
W7 W 0.41133(2) 0.39736(3) 0.26359(2) 0.02066(9) Uani 1 1 d .
W8' W 0.94457(2) 0.50779(3) 0.82159(2) 0.02080(9) Uani 1 1 d .
W7' W 0.84268(2) 0.39814(3) 0.67180(2) 0.02080(9) Uani 1 1 d .
W4 W 0.64830(2) 0.08408(3) 0.31003(2) 0.02079(9) Uani 1 1 d .
W1 W 0.52341(2) -0.05604(3) 0.29837(2) 0.02116(10) Uani 1 1 d .
W8 W 0.58964(2) 0.43260(3) 0.32162(2) 0.02161(10) Uani 1 1 d .
W6 W 0.44875(2) 0.29016(3) 0.10431(2) 0.02073(9) Uani 1 1 d .
W9 W 0.62532(2) 0.32896(3) 0.16190(2) 0.02116(10) Uani 1 1 d .
W5 W 0.54287(2) -0.01162(3) 0.16007(2) 0.02103(9) Uani 1 1 d .
W10' W 0.96699(2) 0.53122(3) 0.67247(2) 0.02109(10) Uani 1 1 d .
W2 W 0.39699(2) 0.03863(3) 0.23651(2) 0.02094(9) Uani 1 1 d .
W9' W 1.09359(2) 0.45313(3) 0.75118(2) 0.02067(9) Uani 1 1 d .
W6' W 0.99311(2) 0.33750(3) 0.60035(2) 0.02086(9) Uani 1 1 d .
W10 W 0.51379(3) 0.47909(3) 0.18712(2) 0.02180(10) Uani 1 1 d .
O105 O 0.4765(13) 0.0491(12) 0.5189(10) 0.108(7) Uani 1 1 d .
O99 O 0.5711(5) 0.0817(5) 0.0243(4) 0.0279(16) Uani 1 1 d .
O101 O 0.2845(4) 0.1777(5) 0.3902(4) 0.0266(15) Uani 1 1 d .
O100 O 0.4686(5) 0.3669(5) 0.4383(4) 0.0294(16) Uani 1 1 d .
O104 O 0.8546(5) 0.4059(5) 0.4778(4) 0.0299(16) Uani 1 1 d .
O103 O 0.9370(7) 0.4272(7) 0.9819(5) 0.049(2) Uani 1 1 d .
Nd1' Nd 0.97230(3) 0.28590(3) 0.75872(3) 0.02053(11) Uani 1 1 d .
W5' W 1.08002(2) 0.10423(3) 0.74457(2) 0.02098(9) Uani 1 1 d .
W2' W 0.90051(2) 0.06865(3) 0.69304(2) 0.02084(9) Uani 1 1 d .
W4' W 1.04936(2) 0.21975(3) 0.90417(2) 0.02090(9) Uani 1 1 d .
O16' O 0.8801(4) 0.2618(4) 0.8244(4) 0.0219(14) Uani 1 1 d .
O17' O 1.0432(4) 0.2950(4) 0.8714(4) 0.0240(14) Uani 1 1 d .
O18' O 1.0700(4) 0.1914(5) 0.7275(4) 0.0270(16) Uani 1 1 d .
O15' O 0.9076(4) 0.1596(5) 0.6807(4) 0.0267(15) Uani 1 1 d .
W1' W 0.98117(3) 0.03219(3) 0.83060(2) 0.02136(10) Uani 1 1 d .
W3' W 0.87169(2) 0.18319(3) 0.85305(2) 0.02081(9) Uani 1 1 d .
O13' O 1.1227(4) 0.1670(4) 0.8423(4) 0.0215(13) Uani 1 1 d .
O6' O 0.9772(4) 0.1393(5) 0.8004(4) 0.0239(14) Uani 1 1 d .
O12' O 1.1047(4) 0.2655(4) 0.9861(4) 0.0244(14) Uani 1 1 d .
O14' O 1.1571(4) 0.0644(5) 0.7068(4) 0.0281(16) Uani 1 1 d .
O5' O 1.0631(4) 0.0201(4) 0.7807(4) 0.0210(13) Uani 1 1 d .
O7' O 1.0008(4) 0.0456(4) 0.6696(4) 0.0218(14) Uani 1 1 d .
O8' O 0.8442(4) 0.0059(5) 0.6169(4) 0.0257(15) Uani 1 1 d .
O4' O 1.0401(4) 0.1093(4) 0.9090(4) 0.0239(14) Uani 1 1 d .
O2' O 0.9194(4) -0.0080(5) 0.7389(4) 0.0252(15) Uani 1 1 d .
O11' O 0.9512(4) 0.2300(4) 0.9304(4) 0.0222(14) Uani 1 1 d .
O9' O 0.8291(4) 0.1099(4) 0.7580(3) 0.0212(14) Uani 1 1 d .
O3' O 0.8955(4) 0.0825(5) 0.8676(4) 0.0237(14) Uani 1 1 d .
O1' O 0.9819(4) -0.0481(5) 0.8544(4) 0.0265(15) Uani 1 1 d .
O10' O 0.7948(4) 0.2023(5) 0.8968(4) 0.0283(16) Uani 1 1 d .
O58 O 0.5678(5) 0.1707(5) 0.6021(5) 0.0334(17) Uani 1 1 d .
O102 O 1.0208(4) 0.1082(5) 0.5640(4) 0.0263(15) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -3.1807 10.9079 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 0 -12 0.0607 0.2654 -0.4584 -12.0804 -0.1636 -0.6813 0.7135
-7 10 -3 0.0769 -6.6487 9.9754 -3.2909 -0.8281 -0.2454 -0.5040
4 3 9 0.0185 3.5255 3.0231 9.3659 0.3489 0.3675 -0.8621
-1 1 12 0.0157 -1.1714 0.5098 12.1409 0.0927 0.7074 -0.7007
-6 -8 11 0.0228 -6.0054 -8.3016 10.9357 -0.0768 0.9728 0.2183
9 7 -6 0.0256 9.1146 7.4962 -6.1906 0.4168 -0.7667 -0.4883
-5 -6 -5 0.0579 -5.4812 -5.9035 -5.4976 -0.3644 -0.0291 0.9308
-8 4 -9 0.0599 -8.0779 3.5894 -8.5607 -0.8607 -0.3570 0.3630
6 -8 10 0.0493 5.9911 -7.8746 9.5182 0.8239 0.5667 -0.0090
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
O47 Na4 O49 162.6(3) . .
O47 Na4 O46 86.3(3) . .
O48 Na4 O47 86.6(3) . .
O48 Na4 O49 76.0(3) . .
O48 Na4 O46 101.8(3) . .
O48 Na4 O50 93.7(3) . .
O48 Na4 O45 166.2(3) . .
O49 Na4 O46 98.1(3) . .
O50 Na4 O47 97.3(3) . .
O50 Na4 O49 83.0(3) . .
O50 Na4 O46 164.3(3) . .
O45 Na4 O47 106.8(3) . .
O45 Na4 O49 90.6(3) . .
O45 Na4 O46 76.6(3) . .
O45 Na4 O50 87.7(3) . .
O80 Na18 Na13 40.3(2) 1_566 1_566
O80 Na18 O95 155.8(3) 1_566 .
O96 Na18 Na13 101.9(3) . 1_566
O96 Na18 O80 95.7(3) . 1_566
O96 Na18 O95 82.6(3) . .
O96 Na18 O97 83.9(3) . .
O96 Na18 O78 83.1(3) . 1_566
O98 Na18 Na13 93.5(2) . 1_566
O98 Na18 O80 96.0(3) . 1_566
O98 Na18 O96 164.6(4) . .
O98 Na18 O95 90.7(3) . .
O98 Na18 O97 86.9(3) . .
O98 Na18 O78 108.9(3) . 1_566
O95 Na18 Na13 116.2(2) . 1_566
O97 Na18 Na13 126.7(4) . 1_566
O97 Na18 O80 86.6(4) . 1_566
O97 Na18 O95 117.1(4) . .
O97 Na18 O78 159.6(4) . 1_566
O78 Na18 Na13 42.2(2) 1_566 1_566
O78 Na18 O80 79.2(3) 1_566 1_566
O78 Na18 O95 76.6(3) 1_566 .
O67 Na10 O26 83.3(3) . 2_666
O67 Na10 O26' 112.2(3) . .
O66 Na10 O67 95.3(3) . .
O66 Na10 O26 177.6(4) . 2_666
O66 Na10 O26' 88.1(3) . .
O65 Na10 O67 146.9(4) . .
O65 Na10 O26 93.4(3) . 2_666
O65 Na10 O66 88.9(4) . .
O65 Na10 O26' 100.7(3) . .
O26' Na10 O26 90.7(3) . 2_666
O96 Na17 O93 99.0(3) . .
O94 Na17 O96 83.3(3) . .
O94 Na17 O28' 94.8(3) . .
O94 Na17 O95 170.0(4) . .
O94 Na17 O93 78.3(3) . .
O94 Na17 O12' 80.2(3) . 2_767
O28' Na17 O96 168.2(3) . .
O28' Na17 O95 94.2(3) . .
O28' Na17 O93 91.9(3) . .
O95 Na17 O96 86.9(3) . .
O95 Na17 O93 105.7(3) . .
O12' Na17 O96 89.6(3) 2_767 .
O12' Na17 O28' 78.6(3) 2_767 .
O12' Na17 O95 97.3(3) 2_767 .
O12' Na17 O93 155.7(3) 2_767 .
O80 Na13 Na18 42.6(2) . 1_544
O80 Na13 O79 90.1(3) . .
O80 Na13 O78 81.4(3) . .
O80 Na13 O76 107.3(3) . .
O80 Na13 O77 105.4(4) . .
O80 Na13 O75 161.3(4) . .
O79 Na13 Na18 87.1(2) . 1_544
O79 Na13 O78 105.1(3) . .
O79 Na13 O75 89.5(3) . .
O78 Na13 Na18 42.32(19) . 1_544
O78 Na13 O75 80.6(3) . .
O76 Na13 Na18 148.3(3) . 1_544
O76 Na13 O79 82.4(3) . .
O76 Na13 O78 168.6(3) . .
O76 Na13 O77 76.4(4) . .
O76 Na13 O75 91.2(3) . .
O77 Na13 Na18 116.1(4) . 1_544
O77 Na13 O79 156.7(4) . .
O77 Na13 O78 94.5(4) . .
O77 Na13 O75 81.2(4) . .
O75 Na13 Na18 118.7(3) . 1_544
O91 Na16 O90 92.6(3) . .
O91 Na16 O88 90.6(3) . .
O91 Na16 O89 166.5(3) . .
O87 Na16 O91 95.2(3) . .
O87 Na16 O90 83.7(3) . .
O87 Na16 O88 81.6(3) . .
O87 Na16 O89 94.8(3) . .
O92 Na16 O91 82.8(3) . .
O92 Na16 O90 103.5(3) . .
O92 Na16 O87 172.5(3) . .
O92 Na16 O88 91.2(3) . .
O92 Na16 O89 88.4(3) . .
O88 Na16 O90 165.2(3) . .
O89 Na16 O90 79.4(3) . .
O89 Na16 O88 99.9(3) . .
O62 Na8 Na1 85.1(2) . 1_556
O62 Na8 O60 105.1(3) . .
O62 Na8 O63 91.4(3) . .
O60 Na8 Na1 130.0(3) . 1_556
O63 Na8 Na1 44.0(2) . 1_556
O63 Na8 O60 162.4(3) . .
O59 Na8 Na1 134.2(3) . 1_556
O59 Na8 O62 87.4(3) . .
O59 Na8 O60 95.5(3) . .
O59 Na8 O63 91.3(3) . .
O59 Na8 O61 149.9(4) . .
O61 Na8 Na1 45.0(2) . 1_556
O61 Na8 O62 119.3(3) . .
O61 Na8 O60 90.8(3) . .
O61 Na8 O63 75.5(3) . .
O42 Na3 O46 81.3(3) . .
O42 Na3 O43 116.9(3) . .
O41 Na3 O42 86.9(3) . .
O41 Na3 O44 159.5(3) . .
O41 Na3 O46 86.4(3) . .
O41 Na3 O43 81.0(3) . .
O41 Na3 O45 105.2(3) . .
O44 Na3 O42 91.3(3) . .
O44 Na3 O46 113.5(3) . .
O44 Na3 O43 81.6(3) . .
O43 Na3 O46 157.0(3) . .
O45 Na3 O42 153.8(4) . .
O45 Na3 O44 85.1(3) . .
O45 Na3 O46 76.5(3) . .
O45 Na3 O43 88.4(4) . .
O83 Na15 O85 79.1(3) . .
O83 Na15 O84 86.4(3) . .
O83 Na15 O87 88.9(3) . .
O83 Na15 O88 91.7(3) . .
O86 Na15 O83 158.2(3) . .
O86 Na15 O85 82.6(3) . .
O86 Na15 O84 89.4(3) . .
O86 Na15 O87 111.2(3) . .
O86 Na15 O88 99.5(3) . .
O85 Na15 O84 111.4(3) . .
O85 Na15 O88 88.6(3) . .
O87 Na15 O85 163.7(4) . .
O87 Na15 O84 78.4(3) . .
O87 Na15 O88 80.8(3) . .
O88 Na15 O84 159.1(3) . .
O51 Na5 O52 171.5(3) . .
O51 Na5 O49 104.7(3) . .
O51 Na5 O24' 85.5(3) . .
O51 Na5 O50 101.5(3) . .
O53 Na5 O51 88.4(3) . .
O53 Na5 O52 85.1(3) . .
O53 Na5 O49 165.5(3) . .
O53 Na5 O24' 94.7(3) . .
O53 Na5 O50 88.4(3) . .
O49 Na5 O52 82.4(3) . .
O49 Na5 O50 83.0(3) . .
O24' Na5 O52 89.7(3) . .
O24' Na5 O49 92.6(3) . .
O24' Na5 O50 172.5(4) . .
O50 Na5 O52 83.8(3) . .
O37 Na1 Na8 119.8(2) . 1_554
O37 Na1 O39 97.0(3) . .
O37 Na1 O38 79.8(3) . .
O37 Na1 O63 118.3(3) . 1_554
O37 Na1 O61 81.0(3) . 1_554
O39 Na1 Na8 118.7(3) . 1_554
O39 Na1 O63 78.3(3) . 1_554
O39 Na1 O61 143.1(3) . 1_554
O38 Na1 Na8 114.2(3) . 1_554
O38 Na1 O39 119.8(3) . .
O38 Na1 O63 154.3(3) . 1_554
O38 Na1 O61 96.3(3) . 1_554
O40 Na1 Na8 76.7(2) . 1_554
O40 Na1 O37 157.9(3) . .
O40 Na1 O39 85.9(3) . .
O40 Na1 O38 79.8(3) . .
O40 Na1 O63 83.8(3) . 1_554
O40 Na1 O61 109.6(3) . 1_554
O63 Na1 Na8 42.0(2) 1_554 1_554
O63 Na1 O61 70.8(3) 1_554 1_554
O61 Na1 Na8 41.1(2) 1_554 1_554
O53 Na6 O55 164.7(3) . .
O53 Na6 O52 78.2(3) . .
O53 Na6 O12 107.0(3) . .
O53 Na6 O72 86.0(3) . .
O55 Na6 O52 113.6(3) . .
O12 Na6 O55 87.2(3) . .
O12 Na6 O52 66.9(3) . .
O12 Na6 O72 132.4(3) . .
O54 Na6 O53 94.4(3) . .
O54 Na6 O55 80.7(3) . .
O54 Na6 O52 72.8(3) . .
O54 Na6 O12 128.4(3) . .
O54 Na6 O72 94.6(3) . .
O72 Na6 O55 80.1(3) . .
O72 Na6 O52 158.7(3) . .
O28 Na11 O67 106.2(3) . .
O28 Na11 O70 77.7(3) . .
O28 Na11 O68 73.2(3) . .
O28 Na11 O71 149.5(4) . .
O67 Na11 O70 130.4(4) . .
O67 Na11 O68 82.6(3) . .
O67 Na11 O71 83.3(3) . .
O69 Na11 O28 106.0(3) . .
O69 Na11 O67 134.8(4) . .
O69 Na11 O70 87.0(3) . .
O69 Na11 O68 77.4(3) . .
O69 Na11 O71 84.6(3) . .
O70 Na11 O68 141.4(3) . .
O70 Na11 O71 74.4(3) . .
O71 Na11 O68 137.2(3) . .
O41 Na2 O42 85.8(3) . .
O41 Na2 O39 92.8(3) . .
O41 Na2 O30 83.8(3) . .
O41 Na2 O10' 95.7(3) . 1_554
O39 Na2 O42 176.9(4) . .
O30 Na2 O42 94.7(3) . .
O30 Na2 O39 87.8(3) . .
O30 Na2 O10' 179.0(3) . 1_554
O40 Na2 O42 95.9(3) . .
O40 Na2 O41 178.3(3) . .
O40 Na2 O39 85.6(3) . .
O40 Na2 O30 95.6(3) . .
O40 Na2 O10' 84.9(3) . 1_554
O10' Na2 O42 84.4(3) 1_554 .
O10' Na2 O39 93.1(3) 1_554 .
O83 Na14 O24 89.8(3) . 2_655
O83 Na14 O84 88.5(3) . .
O83 Na14 O82 83.2(3) . .
O83 Na14 O81 84.4(3) . .
O84 Na14 O24 100.7(3) . 2_655
O84 Na14 O82 168.0(3) . .
O82 Na14 O24 88.0(3) . 2_655
O81 Na14 O24 168.1(4) . 2_655
O81 Na14 O84 89.5(3) . .
O81 Na14 O82 81.0(4) . .
O64 Na9 O60 98.0(3) . .
O64 Na9 O57 168.1(3) . .
O64 Na9 O65 84.4(3) . .
O64 Na9 O10 87.5(3) . .
O64 Na9 O58 107.4(3) . .
O60 Na9 O10 163.6(4) . .
O57 Na9 O60 92.5(3) . .
O57 Na9 O65 90.5(3) . .
O57 Na9 O10 83.9(3) . .
O65 Na9 O60 87.4(3) . .
O65 Na9 O10 108.6(3) . .
O58 Na9 O60 90.0(3) . .
O58 Na9 O57 78.1(3) . .
O58 Na9 O65 168.3(4) . .
O58 Na9 O10 73.5(3) . .
O73 Na12 O74 87.1(4) . .
O73 Na12 O77 159.3(4) . .
O73 Na12 O75 88.1(3) . .
O76 Na12 O73 115.2(3) . .
O76 Na12 O74 82.8(4) . .
O76 Na12 O77 66.3(3) . .
O76 Na12 O75 91.7(3) . .
O74 Na12 O77 113.3(4) . .
O74 Na12 O75 170.4(4) . .
O72 Na12 O73 88.6(3) . .
O72 Na12 O76 155.5(4) . .
O72 Na12 O74 93.1(4) . .
O72 Na12 O77 93.7(3) . .
O72 Na12 O75 95.0(3) . .
O75 Na12 O77 71.2(3) . .
O55 Na7 O56 89.3(3) . .
O55 Na7 O57 90.5(3) . .
O55 Na7 O54 80.9(3) . .
O55 Na7 O58 104.7(4) . .
O57 Na7 O56 161.8(3) . .
O57 Na7 O54 86.8(3) . .
O54 Na7 O56 111.2(3) . .
O59 Na7 O55 154.6(4) . .
O59 Na7 O56 78.2(3) . .
O59 Na7 O57 108.3(3) . .
O59 Na7 O54 83.1(3) . .
O59 Na7 O58 96.3(3) . .
O58 Na7 O56 85.2(3) . .
O58 Na7 O57 77.2(3) . .
O58 Na7 O54 163.0(4) . .
O18 Nd1 O20 140.0(2) . .
O18 Nd1 O21 144.0(3) . .
O18 Nd1 O15 73.3(3) . .
O18 Nd1 O22 78.6(3) . .
O21 Nd1 O20 73.5(2) . .
O21 Nd1 O15 141.0(3) . .
O19 Nd1 O18 75.7(3) . .
O19 Nd1 O20 72.8(3) . .
O19 Nd1 O21 115.8(2) . .
O19 Nd1 O15 76.8(2) . .
O19 Nd1 O17 140.8(3) . .
O19 Nd1 O22 74.0(2) . .
O15 Nd1 O20 76.1(3) . .
O17 Nd1 O18 73.5(3) . .
O17 Nd1 O20 144.5(2) . .
O17 Nd1 O21 78.8(3) . .
O17 Nd1 O15 115.8(3) . .
O17 Nd1 O22 76.6(3) . .
O22 Nd1 O20 114.7(3) . .
O22 Nd1 O21 73.0(3) . .
O22 Nd1 O15 143.5(2) . .
O16 Nd1 O18 116.0(2) . .
O16 Nd1 O20 77.9(2) . .
O16 Nd1 O21 77.1(2) . .
O16 Nd1 O19 142.0(3) . .
O16 Nd1 O15 73.1(2) . .
O16 Nd1 O17 74.7(3) . .
O16 Nd1 O22 141.8(2) . .
W10' O32' W6' 116.3(3) . .
W10' O35' W9' 113.2(4) . .
W2 O7 W5 114.0(3) . .
W1 O4 W4 116.3(4) . .
W7 O27 W8 114.6(4) . .
W10' O33' W7' 116.3(4) . .
W6 O23 W9 116.4(4) . .
W1 O5 W5 116.5(4) . .
W1 O3 W3 115.8(3) . .
W1 O2 W2 114.1(3) . .
W10 O32 W6 114.9(4) . .
W10 O35 W9 116.2(4) . .
W7' O27' W8' 115.0(4) . .
W4 O13 W5 115.8(4) . .
W6' O25' W7' 115.3(3) . .
Na3 O42 Na2 90.3(3) . .
W7 O25 W6 114.7(4) . .
W5 O18 Nd1 129.3(4) . .
Na15 O83 Na14 93.7(4) . .
Na13 O80 Na18 97.1(3) . 1_544
W9' O22' Nd1' 129.4(4) . .
Na18 O96 Na17 95.6(3) . .
Na2 O41 Na3 96.7(3) . .
Na1 O39 Na2 91.5(3) . .
W9 O29 W8 115.6(4) . .
W8 O28 Na11 150.3(5) . .
W6 O24 Na14 133.3(4) . 2_655
Na14 O84 Na15 87.3(3) . .
W7 O20 Nd1 128.9(4) . .
W8' O21' Nd1' 128.5(4) . .
Na5 O53 Na6 102.1(3) . .
Na7 O55 Na6 99.4(3) . .
Na5 O52 Na6 90.2(3) . .
W8 O21 Nd1 128.9(4) . .
Na10 O67 Na11 112.3(4) . .
Na5 O49 Na4 96.9(3) . .
W9 O30 Na2 143.5(4) . .
W6' O19' Nd1' 129.9(3) . .
Na4 O46 Na3 94.4(3) . .
W8' O28' Na17 135.8(4) . .
W7 O26 Na10 130.7(4) . 2_666
Na17 O95 Na18 87.0(3) . .
W7' O20' Nd1' 130.1(4) . .
W6 O19 Nd1 129.6(4) . .
W4 O12 Na6 132.8(4) . .
W6' O24' Na5 140.9(4) . .
Na16 O87 Na15 97.2(3) . .
Na13 O78 Na18 95.5(3) . 1_544
W2 O15 Nd1 128.5(4) . .
Na13 O76 Na12 86.4(3) . .
Na13 O77 Na12 74.9(4) . .
W7 O31 W8 90.5(3) . .
W7 O31 W9 175.2(3) . .
W7 O31 W10 92.2(3) . .
W8 O31 W9 88.7(3) . .
W6 O31 W7 91.4(3) . .
W6 O31 W8 173.2(4) . .
W6 O31 W9 89.0(2) . .
W6 O31 W10 93.1(3) . .
W10 O31 W8 93.4(3) . .
W10 O31 W9 92.5(2) . .
W8' O31' W7' 90.2(3) . .
W8' O31' W9' 89.5(3) . .
W8' O31' W6' 171.7(4) . .
W7' O31' W9' 173.9(4) . .
W7' O31' W6' 89.7(3) . .
W10' O31' W8' 95.5(3) . .
W10' O31' W7' 93.2(3) . .
W10' O31' W9' 92.8(3) . .
W10' O31' W6' 92.7(3) . .
W9' O31' W6' 89.7(3) . .
W3 O6 W4 90.2(2) . .
W1 O6 W3 93.2(3) . .
W1 O6 W4 93.1(3) . .
W1 O6 W5 93.7(3) . .
W5 O6 W3 173.0(4) . .
W5 O6 W4 88.5(3) . .
W2 O6 W3 90.7(3) . .
W2 O6 W4 172.9(4) . .
W2 O6 W1 93.9(2) . .
W2 O6 W5 89.8(2) . .
W10 O34 W8 115.7(4) . .
W3 O11 W4 115.9(3) . .
W6' O23' W9' 115.0(4) . .
W3 O9 W2 114.4(4) . .
W10' O34' W8' 114.0(3) . .
Na16 O88 Na15 95.8(3) . .
Na4 O50 Na5 97.1(3) . .
W10 O33 W7 114.6(4) . .
Na8 O60 Na9 114.7(4) . .
W9' O29' W8' 114.4(3) . .
Na2 O40 Na1 96.8(3) . .
Na9 O57 Na7 98.6(3) . .
Na6 O54 Na7 97.8(3) . .
Na12 O72 Na6 119.2(4) . .
Na8 O63 Na1 94.0(3) . 1_556
Na4 O45 Na3 97.7(4) . .
W4 O17 Nd1 129.3(4) . .
W9 O22 Nd1 131.2(4) . .
W3 O16 Nd1 129.8(4) . .
Na8 O59 Na7 111.4(4) . .
Na10 O65 Na9 114.7(4) . .
W7' O26' Na10 126.1(4) . .
W3 O10 Na9 136.4(4) . .
Na12 O75 Na13 84.3(3) . .
Na8 O61 Na1 93.9(3) . 1_556
O3 W3 O6 73.7(3) . .
O11 W3 O3 83.3(3) . .
O11 W3 O6 76.9(3) . .
O9 W3 O3 83.3(3) . .
O9 W3 O6 76.7(3) . .
O9 W3 O11 152.9(3) . .
O16 W3 O3 159.4(3) . .
O16 W3 O6 85.7(3) . .
O16 W3 O11 92.2(3) . .
O16 W3 O9 92.0(3) . .
O10 W3 O3 98.1(3) . .
O10 W3 O6 171.7(3) . .
O10 W3 O11 102.0(3) . .
O10 W3 O9 103.2(3) . .
O10 W3 O16 102.5(4) . .
O27 W7 O31 77.7(3) . .
O27 W7 O33 84.9(3) . .
O25 W7 O27 154.4(3) . .
O25 W7 O31 77.2(3) . .
O25 W7 O33 84.4(3) . .
O20 W7 O27 90.9(3) . .
O20 W7 O25 91.9(3) . .
O20 W7 O31 85.8(3) . .
O20 W7 O33 161.5(3) . .
O26 W7 O27 101.6(3) . .
O26 W7 O25 102.4(3) . .
O26 W7 O20 103.6(3) . .
O26 W7 O31 170.5(3) . .
O26 W7 O33 94.9(3) . .
O33 W7 O31 75.7(3) . .
O27' W8' O31' 76.8(3) . .
O27' W8' O34' 81.1(3) . .
O21' W8' O27' 93.9(3) . .
O21' W8' O31' 87.4(3) . .
O21' W8' O34' 160.8(3) . .
O21' W8' O29' 94.9(3) . .
O28' W8' O27' 101.2(3) . .
O28' W8' O21' 102.8(3) . .
O28' W8' O31' 169.8(3) . .
O28' W8' O34' 96.4(3) . .
O28' W8' O29' 102.3(3) . .
O34' W8' O31' 73.4(3) . .
O29' W8' O27' 152.3(3) . .
O29' W8' O31' 77.4(3) . .
O29' W8' O34' 82.0(3) . .
O33' W7' O31' 73.8(3) . .
O27' W7' O33' 84.4(3) . .
O27' W7' O25' 153.6(3) . .
O27' W7' O31' 76.6(3) . .
O25' W7' O33' 83.2(3) . .
O25' W7' O31' 77.5(3) . .
O20' W7' O33' 159.4(3) . .
O20' W7' O27' 91.8(3) . .
O20' W7' O25' 91.6(3) . .
O20' W7' O31' 85.6(3) . .
O26' W7' O33' 96.3(3) . .
O26' W7' O27' 101.8(3) . .
O26' W7' O25' 102.8(3) . .
O26' W7' O20' 104.3(4) . .
O26' W7' O31' 170.1(3) . .
O4 W4 O6 73.2(3) . .
O13 W4 O4 83.9(3) . .
O13 W4 O6 77.3(3) . .
O13 W4 O11 152.4(3) . .
O12 W4 O4 95.2(3) . .
O12 W4 O13 102.8(3) . .
O12 W4 O6 168.4(3) . .
O12 W4 O11 102.0(3) . .
O12 W4 O17 104.8(4) . .
O11 W4 O4 82.0(3) . .
O11 W4 O6 76.0(3) . .
O17 W4 O4 159.9(3) . .
O17 W4 O13 93.3(3) . .
O17 W4 O6 86.7(3) . .
O17 W4 O11 91.9(3) . .
O4 W1 O5 87.7(3) . .
O4 W1 O3 86.9(3) . .
O4 W1 O2 154.1(3) . .
O4 W1 O6 77.3(3) . .
O5 W1 O2 87.7(3) . .
O5 W1 O6 76.4(3) . .
O3 W1 O5 153.6(3) . .
O3 W1 O2 86.0(3) . .
O3 W1 O6 77.2(3) . .
O2 W1 O6 76.8(3) . .
O1 W1 O4 103.5(3) . .
O1 W1 O5 101.5(4) . .
O1 W1 O3 104.9(3) . .
O1 W1 O2 102.4(3) . .
O1 W1 O6 177.7(3) . .
O27 W8 O31 76.6(3) . .
O27 W8 O34 83.0(3) . .
O29 W8 O27 153.0(3) . .
O29 W8 O31 77.5(3) . .
O29 W8 O34 82.4(3) . .
O28 W8 O27 102.9(3) . .
O28 W8 O29 101.5(3) . .
O28 W8 O21 102.7(4) . .
O28 W8 O31 171.3(3) . .
O28 W8 O34 97.6(3) . .
O21 W8 O27 92.1(3) . .
O21 W8 O29 93.7(3) . .
O21 W8 O31 86.0(3) . .
O21 W8 O34 159.7(3) . .
O34 W8 O31 73.7(3) . .
O23 W6 O32 84.6(3) . .
O23 W6 O25 152.7(3) . .
O23 W6 O31 77.7(3) . .
O32 W6 O31 74.5(3) . .
O25 W6 O32 81.2(3) . .
O25 W6 O31 76.0(3) . .
O24 W6 O23 103.8(3) . .
O24 W6 O32 95.8(3) . .
O24 W6 O25 100.7(3) . .
O24 W6 O19 103.5(3) . .
O24 W6 O31 170.0(3) . .
O19 W6 O23 95.4(3) . .
O19 W6 O32 160.1(3) . .
O19 W6 O25 90.3(3) . .
O19 W6 O31 86.1(3) . .
O23 W9 O35 82.5(3) . .
O23 W9 O29 151.9(3) . .
O23 W9 O31 75.8(3) . .
O35 W9 O31 73.9(3) . .
O29 W9 O35 83.1(3) . .
O29 W9 O31 77.1(3) . .
O30 W9 O23 103.0(3) . .
O30 W9 O35 97.4(3) . .
O30 W9 O29 102.6(3) . .
O30 W9 O31 171.3(3) . .
O30 W9 O22 104.6(4) . .
O22 W9 O23 91.7(3) . .
O22 W9 O35 158.0(3) . .
O22 W9 O29 92.7(3) . .
O22 W9 O31 84.1(3) . .
O7 W5 O5 81.8(3) . .
O7 W5 O6 76.8(3) . .
O5 W5 O6 73.4(3) . .
O13 W5 O7 152.9(3) . .
O13 W5 O5 83.4(3) . .
O13 W5 O6 77.2(3) . .
O18 W5 O7 93.1(3) . .
O18 W5 O5 159.5(3) . .
O18 W5 O13 92.8(3) . .
O18 W5 O6 86.2(3) . .
O14 W5 O7 101.2(3) . .
O14 W5 O5 96.7(3) . .
O14 W5 O13 103.0(3) . .
O14 W5 O18 103.8(4) . .
O14 W5 O6 170.0(3) . .
O32' W10' O35' 87.0(3) . .
O32' W10' O33' 86.6(3) . .
O32' W10' O31' 77.8(3) . .
O32' W10' O34' 154.8(3) . .
O35' W10' O31' 78.9(3) . .
O35' W10' O34' 89.1(3) . .
O33' W10' O35' 155.4(3) . .
O33' W10' O31' 76.6(3) . .
O33' W10' O34' 86.7(3) . .
O36' W10' O32' 101.3(3) . .
O36' W10' O35' 104.3(3) . .
O36' W10' O33' 100.2(3) . .
O36' W10' O31' 176.7(3) . .
O36' W10' O34' 103.8(3) . .
O34' W10' O31' 77.0(3) . .
O7 W2 O2 84.7(3) . .
O7 W2 O6 78.0(3) . .
O7 W2 O9 154.2(3) . .
O2 W2 O6 75.1(3) . .
O8 W2 O7 101.2(3) . .
O8 W2 O2 94.0(3) . .
O8 W2 O15 104.2(4) . .
O8 W2 O6 169.1(3) . .
O8 W2 O9 101.7(3) . .
O15 W2 O7 94.1(3) . .
O15 W2 O2 161.6(3) . .
O15 W2 O6 86.7(3) . .
O15 W2 O9 91.7(3) . .
O9 W2 O2 81.9(3) . .
O9 W2 O6 77.2(3) . .
O35' W9' O31' 75.1(3) . .
O22' W9' O35' 161.4(3) . .
O22' W9' O31' 86.3(3) . .
O22' W9' O23' 91.7(3) . .
O22' W9' O29' 93.1(3) . .
O30' W9' O35' 93.9(3) . .
O30' W9' O22' 104.7(3) . .
O30' W9' O31' 169.0(3) . .
O30' W9' O23' 102.2(3) . .
O30' W9' O29' 101.5(3) . .
O23' W9' O35' 83.0(3) . .
O23' W9' O31' 77.6(3) . .
O29' W9' O35' 84.4(3) . .
O29' W9' O31' 77.0(3) . .
O29' W9' O23' 153.8(3) . .
O32' W6' O31' 73.2(3) . .
O25' W6' O32' 83.4(3) . .
O25' W6' O31' 76.7(3) . .
O25' W6' O23' 152.8(3) . .
O19' W6' O32' 159.1(3) . .
O19' W6' O25' 92.7(3) . .
O19' W6' O31' 85.9(3) . .
O19' W6' O23' 91.6(3) . .
O24' W6' O32' 97.9(3) . .
O24' W6' O25' 101.9(3) . .
O24' W6' O19' 103.1(3) . .
O24' W6' O31' 171.0(3) . .
O24' W6' O23' 103.2(3) . .
O23' W6' O32' 83.1(3) . .
O23' W6' O31' 76.8(3) . .
O32 W10 O35 88.2(3) . .
O32 W10 O31 77.5(3) . .
O32 W10 O34 154.7(3) . .
O32 W10 O33 86.9(3) . .
O35 W10 O31 77.3(3) . .
O35 W10 O33 154.8(3) . .
O36 W10 O32 102.9(3) . .
O36 W10 O35 100.9(4) . .
O36 W10 O31 178.2(3) . .
O36 W10 O34 102.4(3) . .
O36 W10 O33 104.2(4) . .
O34 W10 O35 86.7(3) . .
O34 W10 O31 77.2(3) . .
O34 W10 O33 87.2(3) . .
O33 W10 O31 77.5(3) . .
O22' Nd1' O20' 114.6(2) . .
O22' Nd1' O18' 76.9(3) . .
O21' Nd1' O22' 73.1(3) . .
O21' Nd1' O20' 72.4(2) . .
O21' Nd1' O18' 143.4(2) . .
O19' Nd1' O22' 74.2(2) . .
O19' Nd1' O21' 116.6(2) . .
O19' Nd1' O20' 74.4(2) . .
O19' Nd1' O16' 142.7(2) . .
O19' Nd1' O17' 139.4(2) . .
O19' Nd1' O18' 73.4(2) . .
O16' Nd1' O22' 141.4(2) . .
O16' Nd1' O21' 77.3(2) . .
O16' Nd1' O20' 78.2(2) . .
O16' Nd1' O17' 74.8(2) . .
O16' Nd1' O18' 117.2(2) . .
O17' Nd1' O22' 75.8(2) . .
O17' Nd1' O21' 79.3(2) . .
O17' Nd1' O20' 144.3(3) . .
O17' Nd1' O18' 73.5(3) . .
O18' Nd1' O20' 140.9(2) . .
O15' Nd1' O22' 142.7(3) . .
O15' Nd1' O21' 141.0(3) . .
O15' Nd1' O19' 74.9(2) . .
O15' Nd1' O20' 76.0(3) . .
O15' Nd1' O16' 74.3(3) . .
O15' Nd1' O17' 117.5(2) . .
O15' Nd1' O18' 74.7(3) . .
O18' W5' O13' 91.0(3) . .
O18' W5' O6' 86.1(3) . .
O18' W5' O5' 161.2(3) . .
O18' W5' O7' 92.9(3) . .
O13' W5' O6' 77.1(3) . .
O13' W5' O5' 83.9(3) . .
O14' W5' O18' 103.7(4) . .
O14' W5' O13' 102.1(3) . .
O14' W5' O6' 170.2(3) . .
O14' W5' O5' 95.1(3) . .
O14' W5' O7' 101.5(3) . .
O5' W5' O6' 75.1(3) . .
O7' W5' O13' 154.4(3) . .
O7' W5' O6' 77.9(3) . .
O7' W5' O5' 84.4(3) . .
O15' W2' O6' 84.2(3) . .
O15' W2' O7' 90.3(3) . .
O15' W2' O2' 158.6(3) . .
O15' W2' O9' 92.0(3) . .
O7' W2' O6' 76.4(3) . .
O7' W2' O2' 83.3(3) . .
O8' W2' O15' 103.4(3) . .
O8' W2' O6' 172.4(3) . .
O8' W2' O7' 103.2(3) . .
O8' W2' O2' 97.9(3) . .
O8' W2' O9' 101.6(3) . .
O2' W2' O6' 74.5(3) . .
O9' W2' O6' 77.9(3) . .
O9' W2' O7' 153.8(3) . .
O9' W2' O2' 85.2(3) . .
O17' W4' O13' 91.4(3) . .
O17' W4' O6' 87.1(3) . .
O17' W4' O4' 161.3(3) . .
O17' W4' O11' 95.0(3) . .
O13' W4' O6' 76.8(3) . .
O13' W4' O4' 81.7(3) . .
O12' W4' O17' 103.2(3) . .
O12' W4' O13' 101.9(3) . .
O12' W4' O6' 169.6(3) . .
O12' W4' O4' 95.2(3) . .
O12' W4' O11' 101.8(3) . .
O4' W4' O6' 74.4(3) . .
O11' W4' O13' 153.3(3) . .
O11' W4' O6' 77.6(3) . .
O11' W4' O4' 84.0(3) . .
W3' O16' Nd1' 129.2(4) . .
W4' O17' Nd1' 126.9(4) . .
W5' O18' Nd1' 127.5(4) . .
W2' O15' Nd1' 129.8(4) . .
O5' W1' O6' 77.3(3) . .
O5' W1' O2' 86.6(3) . .
O5' W1' O3' 154.3(3) . .
O4' W1' O6' 78.2(3) . .
O4' W1' O5' 87.7(3) . .
O4' W1' O2' 154.8(3) . .
O4' W1' O3' 88.5(3) . .
O2' W1' O6' 76.6(3) . .
O3' W1' O6' 77.1(3) . .
O3' W1' O2' 86.1(3) . .
O1' W1' O6' 178.4(3) . .
O1' W1' O5' 104.3(3) . .
O1' W1' O4' 101.9(3) . .
O1' W1' O2' 103.3(3) . .
O1' W1' O3' 101.3(3) . .
O16' W3' O6' 84.8(3) . .
O16' W3' O11' 92.3(3) . .
O16' W3' O9' 91.6(3) . .
O16' W3' O3' 158.9(3) . .
O11' W3' O6' 76.8(3) . .
O11' W3' O9' 154.0(3) . .
O11' W3' O3' 83.3(3) . .
O9' W3' O6' 77.9(3) . .
O9' W3' O3' 83.9(3) . .
O3' W3' O6' 74.0(3) . .
O10' W3' O16' 105.1(4) . .
O10' W3' O6' 170.1(3) . .
O10' W3' O11' 101.7(3) . .
O10' W3' O9' 102.1(3) . .
O10' W3' O3' 96.1(3) . .
W5' O13' W4' 114.0(3) . .
W5' O6' W2' 90.1(3) . .
W5' O6' W3' 175.1(4) . .
W4' O6' W5' 91.1(3) . .
W4' O6' W2' 174.3(4) . .
W4' O6' W1' 93.0(3) . .
W4' O6' W3' 89.3(3) . .
W1' O6' W5' 92.1(3) . .
W1' O6' W2' 92.5(3) . .
W1' O6' W3' 92.8(2) . .
W3' O6' W2' 89.0(3) . .
W4' O12' Na17 135.6(4) . 2_767
W1' O5' W5' 115.6(4) . .
W5' O7' W2' 115.0(4) . .
W1' O4' W4' 114.4(4) . .
W1' O2' W2' 116.4(4) . .
W3' O11' W4' 115.2(4) . .
W2' O9' W3' 114.7(3) . .
W1' O3' W3' 116.1(3) . .
W3' O10' Na2 147.0(4) . 1_556
Na9 O58 Na7 100.5(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Na4 O47 2.426(9) .
Na4 O48 2.382(10) .
Na4 O49 2.437(9) .
Na4 O46 2.445(9) .
Na4 O50 2.387(9) .
Na4 O45 2.385(10) .
Na18 Na13 3.592(6) 1_566
Na18 O80 2.449(10) 1_566
Na18 O96 2.308(8) .
Na18 O98 2.308(9) .
Na18 O95 2.669(10) .
Na18 O97 2.362(10) .
Na18 O78 2.430(8) 1_566
Na10 O67 2.368(9) .
Na10 O26 2.426(9) 2_666
Na10 O66 2.304(9) .
Na10 O65 2.300(10) .
Na10 O26' 2.395(9) .
Na17 O96 2.399(9) .
Na17 O94 2.319(9) .
Na17 O28' 2.387(8) .
Na17 O95 2.393(9) .
Na17 O93 2.506(10) .
Na17 O12' 2.368(8) 2_767
Na13 Na18 3.592(6) 1_544
Na13 O80 2.341(9) .
Na13 O79 2.421(9) .
Na13 O78 2.423(9) .
Na13 O76 2.387(9) .
Na13 O77 2.390(11) .
Na13 O75 2.454(9) .
Na16 O91 2.390(9) .
Na16 O90 2.413(9) .
Na16 O87 2.388(9) .
Na16 O92 2.358(9) .
Na16 O88 2.409(9) .
Na16 O89 2.397(9) .
Na8 Na1 3.532(6) 1_556
Na8 O62 2.368(9) .
Na8 O60 2.387(9) .
Na8 O63 2.371(9) .
Na8 O59 2.315(9) .
Na8 O61 2.326(9) .
Na3 O42 2.437(10) .
Na3 O41 2.352(9) .
Na3 O44 2.402(9) .
Na3 O46 2.452(9) .
Na3 O43 2.448(10) .
Na3 O45 2.387(9) .
Na15 O83 2.325(9) .
Na15 O86 2.301(9) .
Na15 O85 2.431(9) .
Na15 O84 2.514(10) .
Na15 O87 2.406(8) .
Na15 O88 2.435(10) .
Na5 O51 2.381(9) .
Na5 O53 2.372(9) .
Na5 O52 2.442(9) .
Na5 O49 2.390(9) .
Na5 O24' 2.383(8) .
Na5 O50 2.435(9) .
Na1 Na8 3.532(6) 1_554
Na1 O37 2.405(9) .
Na1 O39 2.427(10) .
Na1 O38 2.418(10) .
Na1 O40 2.391(8) .
Na1 O63 2.458(9) 1_554
Na1 O61 2.503(9) 1_554
Na6 O53 2.377(9) .
Na6 O55 2.502(10) .
Na6 O52 2.766(10) .
Na6 O12 2.421(9) .
Na6 O54 2.363(9) .
Na6 O72 2.457(10) .
Na11 O28 2.348(8) .
Na11 O67 2.389(9) .
Na11 O69 2.336(9) .
Na11 O70 2.533(10) .
Na11 O68 2.634(11) .
Na11 O71 2.563(10) .
Na2 O42 2.502(9) .
Na2 O41 2.337(9) .
Na2 O39 2.499(9) .
Na2 O30 2.408(9) .
Na2 O40 2.331(9) .
Na2 O10' 2.412(9) 1_554
Na14 O83 2.337(10) .
Na14 O24 2.447(8) 2_655
Na14 O84 2.415(10) .
Na14 O82 2.421(10) .
Na14 O81 2.405(10) .
Na9 O64 2.367(10) .
Na9 O60 2.445(9) .
Na9 O57 2.433(10) .
Na9 O65 2.440(10) .
Na9 O10 2.497(9) .
Na9 O58 2.399(10) .
Na12 O73 2.403(10) .
Na12 O76 2.393(9) .
Na12 O74 2.407(11) .
Na12 O77 2.944(16) .
Na12 O72 2.369(9) .
Na12 O75 2.425(10) .
Na7 O55 2.326(9) .
Na7 O56 2.642(10) .
Na7 O57 2.455(10) .
Na7 O54 2.522(9) .
Na7 O59 2.324(8) .
Na7 O58 2.423(10) .
Nd1 O18 2.461(9) .
Nd1 O20 2.503(8) .
Nd1 O21 2.466(7) .
Nd1 O19 2.456(7) .
Nd1 O15 2.468(7) .
Nd1 O17 2.460(8) .
Nd1 O22 2.461(7) .
Nd1 O16 2.440(7) .
O32' W10' 1.901(7) .
O32' W6' 2.043(8) .
O35' W10' 1.916(8) .
O35' W9' 2.060(8) .
O7 W5 1.938(8) .
O7 W2 1.926(8) .
O4 W4 2.055(7) .
O4 W1 1.892(7) .
O27 W7 1.942(7) .
O27 W8 1.959(7) .
O33' W7' 2.009(7) .
O33' W10' 1.911(7) .
O23 W6 1.899(8) .
O23 W9 1.930(7) .
O5 W1 1.909(7) .
O5 W5 2.035(8) .
O3 W3 2.048(7) .
O3 W1 1.900(7) .
O2 W1 1.934(8) .
O2 W2 2.034(8) .
O32 W6 2.072(7) .
O32 W10 1.891(7) .
O35 W9 2.050(8) .
O35 W10 1.914(8) .
O27' W8' 1.942(7) .
O27' W7' 1.926(7) .
O13 W4 1.900(7) .
O13 W5 1.927(7) .
O25' W7' 1.958(7) .
O25' W6' 1.941(8) .
O25 W7 1.919(7) .
O25 W6 1.982(7) .
O18 W5 1.791(8) .
O8 W2 1.752(7) .
O80 Na18 2.449(10) 1_544
O22' W9' 1.784(7) .
O22' Nd1' 2.471(7) .
O29 W8 1.933(7) .
O29 W9 1.930(7) .
O30' W9' 1.741(7) .
O28 W8 1.732(7) .
O24 Na14 2.447(8) 2_655
O24 W6 1.745(7) .
O20 W7 1.783(8) .
O21' W8' 1.775(7) .
O21' Nd1' 2.470(8) .
O21 W8 1.795(8) .
O30 W9 1.752(8) .
O19' W6' 1.802(7) .
O19' Nd1' 2.432(7) .
O28' W8' 1.735(7) .
O26 Na10 2.426(9) 2_666
O26 W7 1.763(8) .
O20' W7' 1.775(8) .
O20' Nd1' 2.495(8) .
O36' W10' 1.740(8) .
O19 W6 1.769(8) .
O12 W4 1.739(8) .
O24' W6' 1.726(7) .
O36 W10 1.745(8) .
O78 Na18 2.430(8) 1_544
O15 W2 1.797(7) .
O1 W1 1.761(8) .
O31 W7 2.295(7) .
O31 W8 2.328(7) .
O31 W6 2.295(7) .
O31 W9 2.349(7) .
O31 W10 2.309(7) .
O31' W8' 2.292(8) .
O31' W7' 2.312(8) .
O31' W10' 2.271(8) .
O31' W9' 2.313(8) .
O31' W6' 2.357(8) .
O6 W3 2.319(7) .
O6 W4 2.333(7) .
O6 W1 2.284(7) .
O6 W5 2.315(7) .
O6 W2 2.275(7) .
O34 W8 2.078(8) .
O34 W10 1.906(7) .
O11 W3 1.929(8) .
O11 W4 1.959(7) .
O23' W9' 1.960(7) .
O23' W6' 1.944(7) .
O9 W3 1.926(7) .
O9 W2 1.959(7) .
O34' W8' 2.099(7) .
O34' W10' 1.928(7) .
O33 W7 2.028(7) .
O33 W10 1.914(8) .
O29' W8' 1.930(8) .
O29' W9' 1.927(8) .
O63 Na1 2.458(9) 1_556
O14 W5 1.725(7) .
O17 W4 1.768(8) .
O22 W9 1.790(8) .
O16 W3 1.802(8) .
O26' W7' 1.746(8) .
O10 W3 1.735(8) .
O61 Na1 2.503(9) 1_556
Nd1' O16' 2.452(7) .
Nd1' O17' 2.465(7) .
Nd1' O18' 2.471(9) .
Nd1' O15' 2.431(8) .
W5' O18' 1.788(8) .
W5' O13' 1.942(7) .
W5' O6' 2.304(7) .
W5' O14' 1.731(8) .
W5' O5' 2.017(7) .
W5' O7' 1.930(7) .
W2' O15' 1.805(8) .
W2' O6' 2.338(8) .
W2' O7' 1.966(7) .
W2' O8' 1.731(7) .
W2' O2' 2.008(8) .
W2' O9' 1.945(7) .
W4' O17' 1.774(7) .
W4' O13' 1.972(7) .
W4' O6' 2.294(8) .
W4' O12' 1.738(7) .
W4' O4' 2.091(8) .
W4' O11' 1.933(8) .
O16' W3' 1.789(7) .
W1' O6' 2.303(7) .
W1' O5' 1.901(7) .
W1' O4' 1.873(7) .
W1' O2' 1.936(7) .
W1' O3' 1.918(8) .
W1' O1' 1.742(8) .
W3' O6' 2.336(7) .
W3' O11' 1.921(7) .
W3' O9' 1.946(7) .
W3' O3' 2.042(8) .
W3' O10' 1.740(8) .
O12' Na17 2.368(8) 2_767
O10' Na2 2.412(9) 1_556
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
Na10 O26 W7 O27 3.8(6) 2_666 .
Na10 O26 W7 O25 -167.3(5) 2_666 .
Na10 O26 W7 O20 97.6(5) 2_666 .
Na10 O26 W7 O33 -81.9(5) 2_666 .
Na10 O26' W7' O33' 0.8(5) . .
Na10 O26' W7' O27' 86.4(5) . .
Na10 O26' W7' O25' -83.6(5) . .
Na10 O26' W7' O20' -178.6(4) . .
Na17 O28' W8' O27' 17.0(6) . .
Na17 O28' W8' O21' -79.6(6) . .
Na17 O28' W8' O31' 94.9(17) . .
Na17 O28' W8' O34' 99.1(6) . .
Na17 O28' W8' O29' -177.6(5) . .
Na5 O24' W6' O32' -97.0(7) . .
Na5 O24' W6' O25' -12.1(8) . .
Na5 O24' W6' O19' 83.5(7) . .
Na5 O24' W6' O23' 178.3(6) . .
Na6 O12 W4 O4 -45.3(6) . .
Na6 O12 W4 O13 -130.2(5) . .
Na6 O12 W4 O6 -41.2(19) . .
Na6 O12 W4 O11 37.6(6) . .
Na6 O12 W4 O17 132.8(5) . .
Na11 O28 W8 O27 -162.8(9) . .
Na11 O28 W8 O29 5.5(10) . .
Na11 O28 W8 O21 102.0(9) . .
Na11 O28 W8 O34 -78.3(10) . .
Na2 O30 W9 O23 0.1(8) . .
Na2 O30 W9 O35 -83.9(7) . .
Na2 O30 W9 O29 -168.4(7) . .
Na2 O30 W9 O22 95.4(7) . .
Na14 O24 W6 O23 103.3(5) 2_655 .
Na14 O24 W6 O32 -170.9(5) 2_655 .
Na14 O24 W6 O25 -88.8(5) 2_655 .
Na14 O24 W6 O19 4.1(6) 2_655 .
Na9 O10 W3 O3 118.8(6) . .
Na9 O10 W3 O11 33.9(7) . .
Na9 O10 W3 O9 -156.2(6) . .
Na9 O10 W3 O16 -61.1(7) . .
Nd1 O18 W5 O7 78.0(5) . .
Nd1 O18 W5 O5 3.2(12) . .
Nd1 O18 W5 O13 -75.5(5) . .
Nd1 O18 W5 O6 1.5(4) . .
Nd1 O18 W5 O14 -179.7(4) . .
Nd1 O20 W7 O27 -78.1(4) . .
Nd1 O20 W7 O25 76.4(4) . .
Nd1 O20 W7 O26 179.7(4) . .
Nd1 O20 W7 O31 -0.6(4) . .
Nd1 O20 W7 O33 -1.7(12) . .
Nd1 O21 W8 O27 76.8(5) . .
Nd1 O21 W8 O29 -76.8(5) . .
Nd1 O21 W8 O28 -179.4(5) . .
Nd1 O21 W8 O31 0.5(4) . .
Nd1 O21 W8 O34 1.4(13) . .
Nd1 O19 W6 O23 73.1(5) . .
Nd1 O19 W6 O32 -16.0(13) . .
Nd1 O19 W6 O25 -80.1(5) . .
Nd1 O19 W6 O24 178.8(5) . .
Nd1 O19 W6 O31 -4.1(5) . .
Nd1 O15 W2 O7 -76.6(5) . .
Nd1 O15 W2 O2 9.1(14) . .
Nd1 O15 W2 O8 -179.3(5) . .
Nd1 O15 W2 O6 1.1(5) . .
Nd1 O15 W2 O9 78.1(5) . .
Nd1 O17 W4 O4 -4.5(13) . .
Nd1 O17 W4 O13 76.7(5) . .
Nd1 O17 W4 O12 -179.1(5) . .
Nd1 O17 W4 O6 -0.3(5) . .
Nd1 O17 W4 O11 -76.2(5) . .
Nd1 O22 W9 O23 -75.8(5) . .
Nd1 O22 W9 O35 -1.8(11) . .
Nd1 O22 W9 O29 76.5(5) . .
Nd1 O22 W9 O30 -179.8(4) . .
Nd1 O22 W9 O31 -0.2(4) . .
Nd1 O16 W3 O3 -1.8(12) . .
Nd1 O16 W3 O6 -1.7(4) . .
Nd1 O16 W3 O11 75.0(5) . .
Nd1 O16 W3 O9 -78.2(5) . .
Nd1 O16 W3 O10 177.9(5) . .
W3 O3 W1 O4 77.4(4) . .
W3 O3 W1 O5 -1.1(9) . .
W3 O3 W1 O2 -77.7(4) . .
W3 O3 W1 O1 -179.5(4) . .
W3 O3 W1 O6 -0.4(3) . .
W4 O4 W1 O5 75.2(4) . .
W4 O4 W1 O3 -78.9(4) . .
W4 O4 W1 O2 -4.8(10) . .
W4 O4 W1 O1 176.4(4) . .
W4 O4 W1 O6 -1.3(4) . .
W6 O32 W10 O35 74.8(4) . .
W6 O32 W10 O36 175.6(4) . .
W6 O32 W10 O31 -2.6(4) . .
W6 O32 W10 O34 -3.6(10) . .
W6 O32 W10 O33 -80.5(4) . .
W9 O23 W6 O32 84.4(4) . .
W9 O23 W6 O25 25.6(9) . .
W9 O23 W6 O24 179.0(4) . .
W9 O23 W6 O19 -75.6(4) . .
W9 O23 W6 O31 9.1(4) . .
Nd1' O22' W9' O35' -3.2(13) . .
Nd1' O22' W9' O30' -179.1(4) . .
Nd1' O22' W9' O31' 1.4(4) . .
Nd1' O22' W9' O23' -76.0(5) . .
Nd1' O22' W9' O29' 78.2(5) . .
Nd1' O21' W8' O27' 77.4(5) . .
Nd1' O21' W8' O28' 179.8(4) . .
Nd1' O21' W8' O31' 0.8(5) . .
Nd1' O21' W8' O34' 3.5(13) . .
Nd1' O21' W8' O29' -76.3(5) . .
Nd1' O19' W6' O32' 2.5(11) . .
Nd1' O19' W6' O25' -76.0(5) . .
Nd1' O19' W6' O24' -178.9(4) . .
Nd1' O19' W6' O31' 0.5(4) . .
Nd1' O19' W6' O23' 77.1(5) . .
Nd1' O20' W7' O33' 0.6(12) . .
Nd1' O20' W7' O27' -78.3(5) . .
Nd1' O20' W7' O25' 75.4(5) . .
Nd1' O20' W7' O31' -1.9(5) . .
Nd1' O20' W7' O26' 179.0(4) . .
Nd1' O16' W3' O6' 0.4(4) . .
Nd1' O16' W3' O11' 77.0(5) . .
Nd1' O16' W3' O9' -77.3(5) . .
Nd1' O16' W3' O3' -0.3(11) . .
Nd1' O16' W3' O10' 179.7(4) . .
O16' W3' O10' Na2 -98.1(9) . 1_556
O17' W4' O12' Na17 -14.0(7) . 2_767
O13' W5' O18' Nd1' -79.2(4) . .
O13' W4' O17' Nd1' 79.3(5) . .
O13' W4' O12' Na17 80.4(6) . 2_767
O6' W5' O18' Nd1' -2.1(4) . .
O6' W2' O15' Nd1' -1.5(5) . .
O6' W4' O17' Nd1' 2.6(5) . .
O6' W4' O12' Na17 162.1(14) . 2_767
O6' W1' O4' W4' 1.4(4) . .
O12' W4' O17' Nd1' -178.2(5) . .
O14' W5' O18' Nd1' 178.1(4) . .
O5' W5' O18' Nd1' -5.4(12) . .
O5' W1' O4' W4' 78.8(4) . .
O7' W5' O18' Nd1' 75.6(4) . .
O7' W2' O15' Nd1' -77.8(5) . .
O8' W2' O15' Nd1' 178.5(5) . .
O4' W4' O17' Nd1' 11.3(14) . .
O4' W4' O12' Na17 163.0(6) . 2_767
O2' W2' O15' Nd1' -5.7(13) . .
O2' W1' O4' W4' 1.8(10) . .
O11' W4' O17' Nd1' -74.8(5) . .
O11' W4' O12' Na17 -112.0(6) . 2_767
O11' W3' O10' Na2 -2.4(9) . 1_556
O9' W2' O15' Nd1' 76.1(5) . .
O9' W3' O10' Na2 166.9(8) . 1_556
O3' W1' O4' W4' -75.7(4) . .
O3' W3' O10' Na2 81.9(9) . 1_556
O1' W1' O4' W4' -177.0(4) . .
