#------------------------------------------------------------------------------
#$Date: 2024-03-12 11:54:07 +0200 (Tue, 12 Mar 2024) $
#$Revision: 290444 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/10/7231070.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_7231070
loop_
_publ_author_name
'DUFAYE, Maxime'
'Duval, Sylvain'
'Hirsou, Bastien'
'Stoclet, Grégory'
'Loiseau, Thierry'
_publ_section_title
;
 Complexation of tetravalent uranium cations by the As4W40O140 cryptand
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C8CE00873F
_journal_year                    2018
_chemical_formula_moiety
'0.5(As8 C7 Na18 O365.6 U8 W80), 2(Na2 O6.5), 30.2(O)'
_chemical_formula_sum            'C3.5 As4 Na13 O226 U4 W40'
_chemical_formula_weight         12562.71
_space_group_crystal_system      orthorhombic
_space_group_IT_number           59
_space_group_name_Hall           '-P 2ab 2a'
_space_group_name_H-M_alt        'P m m n :2'
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_atom_sites_solution_primary     iterative
_audit_creation_date             2017-06-07
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2018-04-05 deposited with the CCDC.
2018-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   23.184(2)
_cell_length_b                   29.532(3)
_cell_length_c                   14.5168(13)
_cell_measurement_reflns_used    9900
_cell_measurement_temperature    100
_cell_measurement_theta_max      20.49
_cell_measurement_theta_min      3.18
_cell_volume                     9939.2(16)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0714
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            171581
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        19.665
_diffrn_reflns_theta_max         20.544
_diffrn_reflns_theta_min         1.386
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    15.660
_exptl_absorpt_correction_T_max  0.7445
_exptl_absorpt_correction_T_min  0.4632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1706 before and 0.0689 after correction. The Ratio of minimum to maximum transmission is 0.6222. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    4.198
_exptl_crystal_description       block
_exptl_crystal_F_000             10864
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         6.439
_refine_diff_density_min         -5.936
_refine_diff_density_rms         0.636
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     753
_refine_ls_number_reflns         10581
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0703P)²+871.8262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1380
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9155
_reflns_number_total             10581
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00873f2.cif
_cod_data_source_block           md20dx8
_cod_original_formula_sum        'C3.50 As4 Na13 O226 U4 W40'
_cod_database_code               7231070
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Others
 Sof(OW29)=1-FVAR(1)
 Sof(OW8)=FVAR(1)
 Sof(OW30)=1-FVAR(2)
 Sof(OW22)=FVAR(2)
 Fixed Sof: O45(0.75) OW9(0.7) OW10(0.5) OW11(0.5) OW6(0.25) OW4(0.25)
 C1(0.375) OW23(0.5) OW26(0.3) OW25(0.5) OW24(0.25) Na5(0.5) OW28(0.25)
;
_olex2_exptl_crystal_mounting_method 'mitegen loop'
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.33735(3) 0.2500 0.48340(6) 0.01576(18) Uani 1 2 d S T P . .
U2 U 0.2500 0.31865(3) 0.92214(6) 0.01500(17) Uani 1 2 d S T P . .
W4 W 0.61773(4) 0.2500 0.72896(6) 0.01153(18) Uani 1 2 d S T P . .
W5 W 0.50059(3) 0.30758(2) 0.80165(4) 0.01167(14) Uani 1 1 d . . . . .
W1 W 0.61225(3) 0.31331(2) 0.50903(4) 0.01166(14) Uani 1 1 d . . . . .
W11 W 0.32299(3) 0.44703(2) 0.59946(4) 0.01155(14) Uani 1 1 d . . . . .
W6 W 0.35944(3) 0.33672(2) 0.70308(4) 0.01148(14) Uani 1 1 d . . . . .
W2 W 0.48603(3) 0.31199(2) 0.39217(4) 0.01234(14) Uani 1 1 d . . . . .
W10 W 0.2500 0.53974(3) 0.66937(6) 0.01107(18) Uani 1 2 d S T P . .
W7 W 0.40770(3) 0.44610(2) 0.81408(4) 0.01291(14) Uani 1 1 d . . . . .
W3 W 0.49677(3) 0.37320(2) 0.58584(4) 0.01215(14) Uani 1 1 d . . . . .
W9 W 0.33064(3) 0.53646(2) 0.88960(4) 0.01450(15) Uani 1 1 d . . . . .
W8 W 0.32862(3) 0.43753(2) 1.00804(4) 0.01533(15) Uani 1 1 d . . . . .
As1 As 0.47812(9) 0.2500 0.59276(14) 0.0085(4) Uani 1 2 d S T P . .
As2 As 0.2500 0.43052(7) 0.80843(14) 0.0094(4) Uani 1 2 d S T P . .
O41 O 0.2500 0.2500 0.5187(17) 0.021(5) Uani 1 4 d S T P . .
O23 O 0.2500 0.4367(5) 0.5385(11) 0.013(3) Uani 1 2 d S T P . .
O14 O 0.5825(5) 0.2942(4) 0.8107(7) 0.015(2) Uani 1 1 d . . . . .
O19 O 0.4234(5) 0.3041(4) 0.7546(8) 0.013(2) Uani 1 1 d . . . . .
O21 O 0.3187(4) 0.3875(4) 0.6482(8) 0.014(2) Uani 1 1 d . . . . .
O35 O 0.2500 0.4533(6) 1.0341(11) 0.017(3) Uani 1 2 d S T P . .
O7 O 0.4150(5) 0.2956(4) 0.4298(8) 0.017(2) Uani 1 1 d . . . . .
O28 O 0.3072(5) 0.5461(4) 0.7595(8) 0.015(2) Uani 1 1 d . . . . .
O11 O 0.5181(4) 0.3489(4) 0.7054(7) 0.013(2) Uani 1 1 d . . . . .
O8 O 0.4840(5) 0.3705(4) 0.4553(8) 0.016(2) Uani 1 1 d . . . . .
O16 O 0.6857(7) 0.2500 0.7767(11) 0.017(3) Uani 1 2 d S T P . .
O3 O 0.5811(5) 0.3673(4) 0.5582(8) 0.016(2) Uani 1 1 d . . . . .
O1 O 0.6808(5) 0.3311(4) 0.4808(8) 0.019(3) Uani 1 1 d . . . . .
O24 O 0.3762(5) 0.4608(4) 0.6935(7) 0.015(2) Uani 1 1 d . . . . .
O25 O 0.3065(5) 0.5105(4) 0.5883(7) 0.014(2) Uani 1 1 d . . . . .
O6 O 0.4758(5) 0.3324(4) 0.2801(8) 0.021(3) Uani 1 1 d . . . . .
O22 O 0.3682(5) 0.4410(4) 0.5071(9) 0.023(3) Uani 1 1 d . . . . .
O40 O 0.3080(5) 0.3225(4) 0.7883(9) 0.021(3) Uani 1 1 d . . . . .
O17 O 0.4876(7) 0.2500 0.8637(11) 0.014(3) Uani 1 2 d S T P . .
O36 O 0.4035(5) 0.4363(4) 0.9447(8) 0.017(2) Uani 1 1 d . . . . .
O13 O 0.5194(7) 0.2500 0.6947(10) 0.011(3) Uani 1 2 d S T P . .
O4 O 0.5743(5) 0.3211(4) 0.3974(8) 0.019(3) Uani 1 1 d . . . . .
O33 O 0.3995(5) 0.5123(4) 0.8402(8) 0.017(2) Uani 1 1 d . . . . .
O12 O 0.4953(5) 0.3434(4) 0.8964(9) 0.021(3) Uani 1 1 d . . . . .
O18 O 0.4240(4) 0.3584(4) 0.6140(7) 0.012(2) Uani 1 1 d . . . . .
O27 O 0.2500 0.5933(6) 0.6186(13) 0.022(4) Uani 1 2 d S T P . .
O20 O 0.3892(5) 0.3880(4) 0.7878(8) 0.018(2) Uani 1 1 d . . . . .
O42 O 0.2500 0.2500 0.8832(16) 0.025(6) Uani 1 4 d S T P . .
O2 O 0.6203(6) 0.2500 0.4837(11) 0.015(3) Uani 1 2 d S T P . .
O38 O 0.4814(5) 0.4485(4) 0.7979(9) 0.022(3) Uani 1 1 d . . . . .
O31 O 0.3539(5) 0.5907(4) 0.9149(9) 0.021(3) Uani 1 1 d . . . . .
O5 O 0.5069(7) 0.2500 0.3677(11) 0.018(4) Uani 1 2 d S T P . .
O10 O 0.4989(5) 0.4303(4) 0.6035(9) 0.022(3) Uani 1 1 d . . . . .
O29 O 0.3084(5) 0.4597(4) 0.8624(8) 0.016(2) Uani 1 1 d . . . . .
O15 O 0.6244(5) 0.2061(4) 0.6363(8) 0.015(2) Uani 1 1 d . . . . .
O37 O 0.3071(5) 0.3819(4) 0.9727(8) 0.020(3) Uani 1 1 d . . . . .
O34 O 0.3544(5) 0.4296(4) 1.1199(8) 0.021(3) Uani 1 1 d . . . . .
O39 O 0.3394(5) 0.2954(4) 0.6193(9) 0.021(3) Uani 1 1 d . . . . .
O9 O 0.5146(5) 0.2953(4) 0.5384(7) 0.012(2) Uani 1 1 d . . . . .
O26 O 0.2500 0.4626(5) 0.7048(10) 0.011(3) Uani 1 2 d S T P . .
O32 O 0.3404(5) 0.5069(4) 1.0022(8) 0.020(3) Uani 1 1 d . . . . .
O30 O 0.2500 0.5434(5) 0.9115(12) 0.017(3) Uani 1 2 d S T P . .
O48 O 0.1572(7) 0.2910(7) 0.9716(12) 0.053(5) Uani 1 1 d . . . . .
O45 O 0.3035(8) 0.3260(7) 0.4393(15) 0.042(6) Uani 0.75 1 d . . . . .
C2 C 0.1369(18) 0.2500 0.973(3) 0.058(11) Uani 1 2 d S T P . .
O46 O 0.2500 0.3084(11) 1.0899(17) 0.065(8) Uani 1 2 d S T P . .
O44 O 0.3275(18) 0.2500 0.338(3) 0.099(12) Uiso 1 2 d S T P . .
OW7 O 0.4259(9) 0.3403(7) 1.0674(16) 0.076(7) Uani 1 1 d . . . . .
OW9 O 0.3619(11) 0.3916(9) 1.3361(16) 0.047(6) Uani 0.7 1 d . . . A .
OW8 O 0.497(3) 0.431(3) 1.151(8) 0.15(3) Uani 0.54(9) 1 d . . . A 2
OW10 O 0.342(2) 0.317(2) 1.201(3) 0.09(2) Uani 0.5 1 d . . . A .
OW11 O 0.825(3) 0.3401(17) 0.249(4) 0.13(3) Uani 0.5 1 d . . . . .
OW6 O 0.774(2) 0.2500 0.368(4) 0.071(17) Uiso 0.5 2 d S T P . .
OW5 O 0.3514(7) 0.6147(6) 1.2593(11) 0.041(4) Uani 1 1 d . . . . .
OW19 O 0.5815(18) 0.4196(12) 0.907(2) 0.165(19) Uani 1 1 d . . . . .
OW16 O 0.7500 0.3328(12) 0.706(4) 0.119(19) Uani 1 2 d S T P . .
OW3 O 0.2500 0.5417(10) 1.164(2) 0.072(9) Uani 1 2 d S T P B .
OW4 O 0.2500 0.5884(14) 1.400(3) 0.029(9) Uani 0.5 2 d S T P B 5
OW1 O 0.2500 0.4905(13) 1.363(2) 0.094(12) Uani 1 2 d S T P B .
OW2 O 0.3636(13) 0.5512(9) 1.4436(19) 0.101(10) Uani 1 1 d . . . . .
C1 C 0.2500 0.3404(17) 0.426(3) 0.043(11) Uani 0.75 2 d S T P . .
Na1 Na 0.2500 0.2500 0.7023(9) 0.022(3) Uani 1 4 d S T P . .
Na4 Na 0.4112(6) 0.3782(4) 1.2009(7) 0.067(3) Uani 1 1 d . . . . .
Na2 Na 0.3142(10) 0.5445(7) 1.3070(11) 0.113(6) Uani 1 1 d . . . . .
Na3 Na 0.7500 0.3299(5) 0.3573(10) 0.046(3) Uani 1 2 d S T P . .
OW15 O 0.6177(16) 0.2500 1.261(3) 0.087(11) Uani 1 2 d S T P . .
OW12 O 0.4116(8) 0.5905(7) 0.6902(14) 0.062(6) Uani 1 1 d . . . . .
OW13 O 0.4541(15) 0.5241(10) 0.601(2) 0.112(10) Uani 1 1 d . . . . .
OW17 O 0.7500 0.2500 0.573(3) 0.041(8) Uani 1 4 d S T P . .
OW23 O 0.628(3) 0.2776(18) 1.102(4) 0.12(2) Uani 0.5 1 d . . . . .
OW18 O 0.7500 0.3843(15) 0.940(3) 0.105(14) Uani 1 2 d S T P . .
OW20 O 0.6492(15) 0.3232(12) 0.956(2) 0.117(10) Uiso 1 1 d . . . . .
OW21 O 0.5641(15) 0.3807(11) 1.006(2) 0.128(13) Uani 1 1 d . . . . .
OW26 O 0.450(4) 0.2500 1.154(4) 0.14(4) Uani 0.6 2 d S T P . .
OW22 O 0.507(2) 0.440(3) 1.036(5) 0.11(3) Uani 0.58(13) 1 d . . . A 3
OW25 O 0.5546(15) 0.339(2) 1.125(2) 0.080(17) Uani 0.5 1 d . . . . .
OW24 O 0.539(4) 0.2500 1.045(3) 0.09(3) Uani 0.5 2 d S T P . .
OW14 O 0.4409(17) 0.4972(14) 1.432(3) 0.144(13) Uiso 1 1 d . . . . .
Na5 Na 0.4838(16) 0.3942(14) 1.028(3) 0.117(13) Uani 0.5 1 d . . . A .
OW27 O 0.2500 0.4070(17) 1.239(3) 0.107(15) Uani 1 2 d S T P . .
OW28 O 0.7500 0.3860(15) 0.535(3) 0.035(10) Uani 0.5 2 d S T P C 6
OW29 O 0.4812(16) 0.4317(11) 1.212(3) 0.032(15) Uani 0.46(9) 1 d . . . A 1
OW30 O 0.501(2) 0.471(3) 1.027(3) 0.05(3) Uani 0.42(13) 1 d . . . A 4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
As As 0.2758 1.3314 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0015 0.0009 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0218 0.0150 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0056 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -5.7225 10.6428 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.4201 4.6430 '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
O41 U1 U1 14.2(7) . 2
O41 U1 O7 144.5(3) . .
O41 U1 O7 144.5(3) . 7_565
O41 U1 O39 79.4(6) . .
O41 U1 O39 79.4(6) . 7_565
O41 U1 O45 75.8(5) . 7_565
O41 U1 O45 75.8(5) . .
O41 U1 O44 98.0(13) . .
O41 U1 Na1 43.3(7) . .
O7 U1 U1 139.2(3) . 2
O7 U1 U1 139.2(3) 7_565 2
O7 U1 O7 68.9(5) . 7_565
O7 U1 O39 125.0(4) . 7_565
O7 U1 O39 86.4(4) . .
O7 U1 O39 125.0(4) 7_565 .
O7 U1 O39 86.4(4) 7_565 7_565
O7 U1 O45 68.9(5) . .
O7 U1 O45 132.2(5) 7_565 .
O7 U1 O45 68.9(5) 7_565 7_565
O7 U1 O45 132.2(5) . 7_565
O7 U1 Na1 133.0(3) . .
O7 U1 Na1 133.0(3) 7_565 .
O39 U1 U1 91.1(3) 7_565 2
O39 U1 U1 91.1(3) . 2
O39 U1 O39 68.4(6) . 7_565
O39 U1 O45 73.1(7) . .
O39 U1 O45 137.2(6) 7_565 .
O39 U1 O45 73.1(7) 7_565 7_565
O39 U1 O45 137.2(6) . 7_565
O39 U1 Na1 46.6(3) 7_565 .
O39 U1 Na1 46.6(3) . .
O45 U1 U1 71.4(4) 7_565 2
O45 U1 U1 71.4(4) . 2
O45 U1 O45 131.4(12) . 7_565
O45 U1 Na1 92.7(4) 7_565 .
O45 U1 Na1 92.7(4) . .
O44 U1 U1 83.8(11) . 2
O44 U1 O7 75.9(10) . .
O44 U1 O7 75.9(10) . 7_565
O44 U1 O39 145.5(3) . .
O44 U1 O39 145.5(3) . 7_565
O44 U1 O45 73.0(7) . .
O44 U1 O45 73.0(7) . 7_565
O44 U1 Na1 141.3(11) . .
Na1 U1 U1 57.49(11) . 2
O40 U2 U2 92.8(3) 8_655 2
O40 U2 U2 92.8(3) . 2
O40 U2 O40 69.3(6) 8_655 .
O40 U2 O37 121.7(4) 8_655 .
O40 U2 O37 84.2(4) . .
O40 U2 O37 121.7(4) . 8_655
O40 U2 O37 84.2(4) 8_655 8_655
O40 U2 O48 75.8(5) 8_655 .
O40 U2 O48 140.2(6) 8_655 8_655
O40 U2 O48 140.2(6) . .
O40 U2 O48 75.8(5) . 8_655
O40 U2 O46 145.2(3) 8_655 .
O40 U2 O46 145.2(3) . .
O40 U2 Na1 48.2(3) . .
O40 U2 Na1 48.2(3) 8_655 .
O42 U2 U2 15.6(6) . 2
O42 U2 O40 80.0(6) . 8_655
O42 U2 O40 80.0(6) . .
O42 U2 O37 146.1(3) . 8_655
O42 U2 O37 146.1(3) . .
O42 U2 O48 75.7(5) . 8_655
O42 U2 O48 75.7(5) . .
O42 U2 O46 98.5(10) . .
O42 U2 Na1 42.0(6) . .
O37 U2 U2 141.0(3) . 2
O37 U2 U2 141.0(3) 8_655 2
O37 U2 O37 66.9(6) . 8_655
O37 U2 O48 71.4(5) 8_655 .
O37 U2 O48 131.6(6) . .
O37 U2 O48 131.6(6) 8_655 8_655
O37 U2 O48 71.4(5) . 8_655
O37 U2 O46 78.1(7) . .
O37 U2 O46 78.1(7) 8_655 .
O37 U2 Na1 132.4(3) . .
O37 U2 Na1 132.4(3) 8_655 .
O48 U2 U2 70.2(5) . 2
O48 U2 U2 70.2(5) 8_655 2
O48 U2 O48 126.4(8) . 8_655
O48 U2 O46 70.3(5) 8_655 .
O48 U2 O46 70.3(5) . .
O48 U2 Na1 94.0(5) . .
O48 U2 Na1 94.0(5) 8_655 .
O46 U2 U2 82.9(7) . 2
O46 U2 Na1 140.5(8) . .
Na1 U2 U2 57.58(11) . 2
O14 W4 O14 84.3(7) 7_565 .
O14 W4 O13 73.7(4) 7_565 .
O14 W4 O13 73.7(4) . .
O16 W4 O14 97.9(5) . .
O16 W4 O14 97.9(5) . 7_565
O16 W4 O13 168.6(7) . .
O16 W4 O15 102.3(5) . .
O16 W4 O15 102.3(5) . 7_565
O15 W4 O14 159.6(5) 7_565 7_565
O15 W4 O14 90.5(5) . 7_565
O15 W4 O14 159.6(5) . .
O15 W4 O14 90.5(5) 7_565 .
O15 W4 O13 85.8(4) . .
O15 W4 O13 85.8(4) 7_565 .
O15 W4 O15 87.5(7) 7_565 .
O14 W5 O17 86.7(6) . .
O14 W5 O13 73.5(5) . .
O19 W5 O14 157.6(5) . .
O19 W5 O17 88.5(6) . .
O19 W5 O13 84.2(5) . .
O11 W5 O14 88.4(5) . .
O11 W5 O19 88.4(4) . .
O11 W5 O17 159.1(5) . .
O11 W5 O13 86.5(4) . .
O17 W5 O13 72.7(5) . .
O12 W5 O14 98.0(5) . .
O12 W5 O19 104.3(5) . .
O12 W5 O11 101.9(5) . .
O12 W5 O17 98.9(6) . .
O12 W5 O13 168.1(5) . .
O3 W1 O2 158.9(6) . .
O3 W1 O15 86.9(5) . 7_565
O3 W1 O9 75.8(4) . .
O1 W1 O3 100.7(5) . .
O1 W1 O4 101.1(5) . .
O1 W1 O2 99.3(6) . .
O1 W1 O15 100.4(5) . 7_565
O1 W1 O9 174.0(5) . .
O4 W1 O3 92.6(5) . .
O4 W1 O2 90.0(6) . .
O4 W1 O15 158.2(5) . 7_565
O4 W1 O9 74.5(4) . .
O2 W1 O15 83.1(6) . 7_565
O2 W1 O9 84.8(5) . .
O15 W1 O9 84.3(4) 7_565 .
O23 W11 O26 72.3(5) . .
O21 W11 O23 88.8(5) . .
O21 W11 O25 157.7(5) . .
O21 W11 O26 84.2(5) . .
O24 W11 O23 159.8(5) . .
O24 W11 O21 88.0(5) . .
O24 W11 O25 88.9(5) . .
O24 W11 O26 87.5(4) . .
O25 W11 O23 86.6(5) . .
O25 W11 O26 73.6(5) . .
O22 W11 O23 99.3(6) . .
O22 W11 O21 103.1(5) . .
O22 W11 O24 100.9(6) . .
O22 W11 O25 99.1(5) . .
O22 W11 O26 168.9(5) . .
O19 W6 O21 157.3(4) . .
O19 W6 O18 80.8(4) . .
O19 W6 O20 83.0(5) . .
O19 W6 Na1 100.9(3) . .
O21 W6 O18 81.8(4) . .
O21 W6 O20 80.8(5) . .
O21 W6 Na1 101.8(3) . .
O40 W6 O19 97.4(5) . .
O40 W6 O21 98.1(5) . .
O40 W6 O18 173.4(5) . .
O40 W6 O20 89.0(5) . .
O40 W6 O39 98.0(6) . .
O40 W6 Na1 50.2(5) . .
O18 W6 Na1 136.3(4) . .
O20 W6 O18 84.5(4) . .
O20 W6 Na1 139.1(4) . .
O39 W6 O19 97.2(5) . .
O39 W6 O21 97.0(5) . .
O39 W6 O18 88.5(5) . .
O39 W6 O20 172.9(5) . .
O39 W6 Na1 47.8(4) . .
O7 W2 O8 94.2(5) . .
O7 W2 O4 158.4(5) . .
O7 W2 O5 91.7(6) . .
O7 W2 O9 85.7(5) . .
O8 W2 O4 83.8(5) . .
O8 W2 O9 76.2(4) . .
O6 W2 O7 104.5(6) . .
O6 W2 O8 97.4(5) . .
O6 W2 O4 97.1(5) . .
O6 W2 O5 100.9(6) . .
O6 W2 O9 168.5(5) . .
O4 W2 O9 72.9(4) . .
O5 W2 O8 158.7(6) . .
O5 W2 O4 83.2(6) . .
O5 W2 O9 83.9(6) . .
O28 W10 O28 90.1(7) . 8_655
O28 W10 O25 89.5(5) . .
O28 W10 O25 159.5(5) . 8_655
O28 W10 O25 89.5(5) 8_655 8_655
O28 W10 O25 159.5(5) 8_655 .
O28 W10 O26 86.8(4) 8_655 .
O28 W10 O26 86.8(4) . .
O25 W10 O25 83.9(6) 8_655 .
O25 W10 O26 72.7(4) 8_655 .
O25 W10 O26 72.7(4) . .
O27 W10 O28 101.8(5) . 8_655
O27 W10 O28 101.8(5) . .
O27 W10 O25 98.3(6) . .
O27 W10 O25 98.4(6) . 8_655
O27 W10 O26 167.7(7) . .
O24 W7 O33 85.2(5) . .
O24 W7 O29 82.4(4) . .
O36 W7 O24 154.5(5) . .
O36 W7 O33 87.4(5) . .
O36 W7 O29 72.1(4) . .
O33 W7 O29 72.2(4) . .
O20 W7 O24 86.2(5) . .
O20 W7 O36 93.0(5) . .
O20 W7 O33 160.8(5) . .
O20 W7 O29 89.6(5) . .
O38 W7 O24 103.9(5) . .
O38 W7 O36 101.0(5) . .
O38 W7 O33 94.5(5) . .
O38 W7 O20 104.2(6) . .
O38 W7 O29 165.0(5) . .
O11 W3 O3 84.2(5) . .
O11 W3 O9 82.0(4) . .
O8 W3 O11 155.0(5) . .
O8 W3 O3 87.1(5) . .
O8 W3 O9 73.0(4) . .
O3 W3 O9 72.3(4) . .
O18 W3 O11 86.9(5) . .
O18 W3 O8 94.0(5) . .
O18 W3 O3 160.7(5) . .
O18 W3 O9 89.6(4) . .
O10 W3 O11 102.9(5) . .
O10 W3 O8 101.2(5) . .
O10 W3 O3 95.1(5) . .
O10 W3 O18 103.6(6) . .
O10 W3 O9 166.1(5) . .
O28 W9 O29 85.4(4) . .
O33 W9 O28 85.7(5) . .
O33 W9 O29 76.0(4) . .
O33 W9 O30 158.7(6) . .
O31 W9 O28 98.9(5) . .
O31 W9 O33 99.7(5) . .
O31 W9 O29 173.8(5) . .
O31 W9 O32 102.1(6) . .
O31 W9 O30 99.8(6) . .
O32 W9 O28 158.9(5) . .
O32 W9 O33 93.0(5) . .
O32 W9 O29 73.9(5) . .
O32 W9 O30 91.3(6) . .
O30 W9 O28 82.8(6) . .
O30 W9 O29 85.2(6) . .
O35 W8 O36 159.4(6) . .
O35 W8 O29 85.3(6) . .
O35 W8 O32 83.9(6) . .
O36 W8 O29 75.6(4) . .
O36 W8 O32 83.2(5) . .
O37 W8 O35 90.9(6) . .
O37 W8 O36 95.4(5) . .
O37 W8 O29 86.6(5) . .
O37 W8 O32 158.9(5) . .
O34 W8 O35 100.0(6) . .
O34 W8 O36 97.5(5) . .
O34 W8 O29 168.2(5) . .
O34 W8 O37 103.8(6) . .
O34 W8 O32 97.2(5) . .
O32 W8 O29 72.7(4) . .
O13 As1 O9 96.6(5) . .
O13 As1 O9 96.6(5) . 7_565
O9 As1 O9 98.4(7) . 7_565
O29 As2 O29 98.6(8) 8_655 .
O26 As2 O29 96.5(5) . .
O26 As2 O29 96.5(5) . 8_655
U1 O41 U1 151.6(13) 2 .
U1 O41 Na1 104.2(7) 2 .
U1 O41 Na1 104.2(7) . .
W11 O23 W11 122.1(8) 8_655 .
W4 O14 W5 120.4(5) . .
W5 O19 W6 146.4(6) . .
W11 O21 W6 147.4(6) . .
W8 O35 W8 143.5(9) . 8_655
W2 O7 U1 160.6(6) . .
W10 O28 W9 147.6(6) . .
W5 O11 W3 147.2(6) . .
W3 O8 W2 119.8(6) . .
W1 O3 W3 121.5(6) . .
W1 O1 Na3 141.9(7) . .
W11 O24 W7 148.1(7) . .
W11 O25 W10 120.8(6) . .
W2 O6 Na4 138.4(7) . 1_554
U2 O40 Na1 93.2(5) . .
W6 O40 U2 165.8(7) . .
W6 O40 Na1 101.1(6) . .
W5 O17 W5 121.6(8) 7_565 .
W7 O36 W8 120.3(6) . .
W7 O36 Na5 120.4(11) . .
W8 O36 Na5 115.6(11) . .
W4 O13 W5 92.3(5) . .
W4 O13 W5 92.3(5) . 7_565
W5 O13 W5 93.0(5) 7_565 .
As1 O13 W4 135.2(8) . .
As1 O13 W5 117.1(5) . 7_565
As1 O13 W5 117.1(5) . .
W1 O4 W2 119.0(6) . .
W9 O33 W7 121.4(6) . .
W5 O12 Na5 177.8(11) . .
W3 O18 W6 153.6(6) . .
W10 O27 Na3 146.2(11) . 5_666
W7 O20 W6 154.0(7) . .
U2 O42 U2 148.9(12) 2 .
U2 O42 Na1 105.6(6) 2 .
U2 O42 Na1 105.6(6) . .
W1 O2 W1 155.2(9) 7_565 .
W2 O5 W2 143.7(9) 7_565 .
W9 O29 W7 90.0(4) . .
W8 O29 W7 91.5(4) . .
W8 O29 W9 94.4(4) . .
As2 O29 W7 120.6(6) . .
As2 O29 W9 134.7(6) . .
As2 O29 W8 115.3(6) . .
W4 O15 W1 150.4(6) . 7_565
W8 O37 U2 162.3(6) . .
W8 O34 Na4 138.6(7) . .
U1 O39 Na1 94.2(5) . .
W6 O39 U1 162.4(7) . .
W6 O39 Na1 103.4(6) . .
W1 O9 W3 90.1(4) . .
W2 O9 W1 93.5(4) . .
W2 O9 W3 90.6(4) . .
As1 O9 W1 135.1(6) . .
As1 O9 W2 116.1(5) . .
As1 O9 W3 120.5(5) . .
W11 O26 W11 93.3(5) . 8_655
W11 O26 W10 92.7(5) 8_655 .
W11 O26 W10 92.7(5) . .
As2 O26 W11 116.8(5) . 8_655
As2 O26 W11 116.8(5) . .
As2 O26 W10 135.0(8) . .
W9 O32 W8 118.9(6) . .
W9 O30 W9 157.2(10) . 8_655
C2 O48 U2 130.1(19) . .
C1 O45 U1 129(2) . .
O48 C2 O48 138(4) 7_565 .
Na5 OW7 Na4 87.4(15) . .
Na5 OW8 Na4 80(2) . .
OW6 OW6 Na3 76.5(13) 2_655 .
OW6 OW6 Na3 76.5(13) 2_655 2_655
Na3 OW6 Na3 152(3) . 2_655
Na2 OW3 Na2 71.2(13) 8_655 .
Na2 OW4 Na2 77.0(15) 8_655 .
Na2 OW1 Na2 79.5(16) 8_655 .
O45 C1 O45 139(4) 8_655 .
W6 Na1 W6 179.6(4) . 2
O41 Na1 W6 90.2(2) . 2
O41 Na1 W6 90.2(2) . .
O41 Na1 O40 116.3(4) . 7_565
O41 Na1 O40 116.3(4) . 8_655
O41 Na1 O40 116.3(4) . 2
O41 Na1 O40 116.3(4) . .
O41 Na1 O39 64.0(4) . 7_565
O41 Na1 O39 64.0(4) . 2
O41 Na1 O39 64.0(4) . 8_655
O41 Na1 O39 64.0(4) . .
O40 Na1 W6 101.7(3) 8_655 2
O40 Na1 W6 78.2(3) 8_655 .
O40 Na1 W6 150.9(5) . 2
O40 Na1 W6 28.8(2) 2 2
O40 Na1 W6 101.7(3) 7_565 .
O40 Na1 W6 28.8(2) . .
O40 Na1 W6 150.9(5) 2 .
O40 Na1 W6 78.2(3) 7_565 2
O40 Na1 O40 98.8(6) . 7_565
O40 Na1 O40 98.8(6) 2 8_655
O40 Na1 O40 57.0(5) . 8_655
O40 Na1 O40 57.0(5) 2 7_565
O40 Na1 O40 127.5(7) . 2
O40 Na1 O40 127.5(7) 8_655 7_565
O42 Na1 W6 89.8(2) . 2
O42 Na1 W6 89.8(2) . .
O42 Na1 O41 180.0 . .
O42 Na1 O40 63.7(4) . 8_655
O42 Na1 O40 63.7(4) . 7_565
O42 Na1 O40 63.7(4) . 2
O42 Na1 O40 63.7(4) . .
O42 Na1 O39 116.0(4) . 7_565
O42 Na1 O39 116.0(4) . .
O42 Na1 O39 116.0(4) . 8_655
O42 Na1 O39 116.0(4) . 2
O39 Na1 W6 100.7(3) 7_565 2
O39 Na1 W6 28.8(3) 2 2
O39 Na1 W6 28.8(3) . .
O39 Na1 W6 151.6(5) . 2
O39 Na1 W6 79.5(3) 8_655 2
O39 Na1 W6 100.7(3) 8_655 .
O39 Na1 W6 79.5(3) 7_565 .
O39 Na1 W6 151.6(5) 2 .
O39 Na1 O40 57.5(4) 2 2
O39 Na1 O40 100.5(4) 8_655 .
O39 Na1 O40 57.5(4) 7_565 7_565
O39 Na1 O40 101.9(3) 8_655 2
O39 Na1 O40 100.5(4) 2 7_565
O39 Na1 O40 100.5(4) 7_565 2
O39 Na1 O40 57.5(4) . .
O39 Na1 O40 157.6(4) . 2
O39 Na1 O40 101.9(3) 7_565 .
O39 Na1 O40 101.9(3) 2 8_655
O39 Na1 O40 157.6(4) 8_655 7_565
O39 Na1 O40 57.5(4) 8_655 8_655
O39 Na1 O40 101.9(3) . 7_565
O39 Na1 O40 157.6(4) 7_565 8_655
O39 Na1 O40 157.6(4) 2 .
O39 Na1 O40 100.5(4) . 8_655
O39 Na1 O39 58.5(5) 7_565 .
O39 Na1 O39 128.0(7) 2 .
O39 Na1 O39 97.9(6) 8_655 .
O39 Na1 O39 97.9(6) 2 7_565
O39 Na1 O39 58.5(5) 2 8_655
O39 Na1 O39 128.0(7) 8_655 7_565
O6 Na4 O34 173.9(9) 1_556 .
O6 Na4 OW8 90(2) 1_556 .
O6 Na4 OW10 89.7(13) 1_556 .
O6 Na4 Na5 98.1(8) 1_556 .
O34 Na4 OW8 84(2) . .
O34 Na4 OW10 96.3(13) . .
O34 Na4 Na5 78.3(7) . .
OW7 Na4 O6 92.2(7) . 1_556
OW7 Na4 O34 88.6(7) . .
OW7 Na4 OW9 152.7(12) . .
OW7 Na4 OW8 87(2) . .
OW7 Na4 OW10 74.4(15) . .
OW7 Na4 Na5 44.9(11) . .
OW7 Na4 OW29 107.2(15) . .
OW9 Na4 O6 89.8(8) . 1_556
OW9 Na4 O34 92.2(8) . .
OW9 Na4 OW8 121(2) . .
OW9 Na4 OW10 78.4(16) . .
OW9 Na4 Na5 160.9(12) . .
OW8 Na4 Na5 43(3) . .
OW10 Na4 OW8 161(3) . .
OW10 Na4 Na5 118.7(16) . .
OW29 Na4 O6 84.8(9) . 1_556
OW29 Na4 O34 89.2(9) . .
OW29 Na4 OW9 100.1(15) . .
OW29 Na4 OW10 174.3(14) . .
OW29 Na4 Na5 63.7(16) . .
OW5 Na2 OW3 90.2(10) . .
OW5 Na2 OW4 85.3(12) . .
OW5 Na2 Na2 111.6(7) . 8_655
OW3 Na2 Na2 54.4(6) . 8_655
OW4 Na2 OW3 96.5(11) . .
OW4 Na2 Na2 51.5(8) . 8_655
OW1 Na2 OW5 160.5(14) . .
OW1 Na2 OW3 83.5(11) . .
OW1 Na2 OW4 77.1(14) . .
OW1 Na2 Na2 50.2(8) . 8_655
OW2 Na2 OW5 89.8(9) . .
OW2 Na2 OW3 173.6(14) . .
OW2 Na2 OW4 77.1(12) . .
OW2 Na2 OW1 94.5(11) . .
OW2 Na2 Na2 119.9(9) . 8_655
O1 Na3 O1 83.6(8) . 8_755
O1 Na3 OW6 79.2(15) 8_755 .
O1 Na3 OW6 97.1(15) 8_755 2_655
O1 Na3 OW6 97.1(15) . .
O1 Na3 OW6 79.2(15) . 2_655
O27 Na3 O1 82.6(6) 5_666 8_755
O27 Na3 O1 82.6(6) 5_666 .
O27 Na3 OW11 88.6(14) 5_666 .
O27 Na3 OW11 88.6(14) 5_666 8_755
O27 Na3 OW6 161.7(15) 5_666 .
O27 Na3 OW6 161.7(15) 5_666 2_655
OW11 Na3 O1 90(2) . 8_755
OW11 Na3 O1 90(2) 8_755 .
OW11 Na3 O1 169.7(19) . .
OW11 Na3 O1 169.7(19) 8_755 8_755
OW11 Na3 OW11 95(4) 8_755 .
OW11 Na3 OW6 89.6(18) 8_755 2_655
OW11 Na3 OW6 89.6(18) . .
OW11 Na3 OW6 109.7(19) . 2_655
OW11 Na3 OW6 109.7(19) 8_755 .
OW6 Na3 OW6 27(3) 2_655 .
O36 Na5 OW19 98.8(14) . .
O36 Na5 Na4 93.6(12) . .
O36 Na5 OW25 170(2) . .
O36 Na5 OW29 103.7(15) . .
O12 Na5 O36 90.4(14) . .
O12 Na5 OW19 66.9(12) . .
O12 Na5 Na4 127.4(17) . .
O12 Na5 OW25 88.4(15) . .
O12 Na5 OW29 163.7(16) . .
OW7 Na5 O36 91.8(15) . .
OW7 Na5 O12 79.8(17) . .
OW7 Na5 OW19 145(2) . .
OW7 Na5 Na4 47.7(10) . .
OW7 Na5 OW25 78.4(15) . .
OW7 Na5 OW29 91.5(17) . .
OW7 Na5 OW30 147(3) . .
OW8 Na5 O36 105(3) . .
OW8 Na5 O12 164(3) . .
OW8 Na5 OW7 104(3) . .
OW8 Na5 OW19 105(3) . .
OW8 Na5 Na4 58(2) . .
OW8 Na5 OW25 77(3) . .
OW19 Na5 Na4 161.2(17) . .
OW21 Na5 O36 137(2) . .
OW21 Na5 O12 68.8(16) . .
OW21 Na5 OW7 119(2) . .
OW21 Na5 OW8 96(3) . .
OW21 Na5 OW19 38.4(14) . .
OW21 Na5 Na4 129.5(19) . .
OW21 Na5 OW25 51.5(14) . .
OW21 Na5 OW29 105(2) . .
OW21 Na5 OW30 92(2) . .
OW22 Na5 O36 82(3) . .
OW22 Na5 O12 126(4) . .
OW22 Na5 OW7 153(4) . .
OW22 Na5 OW19 62(3) . .
OW22 Na5 Na4 106(3) . .
OW22 Na5 OW21 81(3) . .
OW22 Na5 OW25 107(4) . .
OW25 Na5 OW19 89.7(14) . .
OW25 Na5 Na4 79.4(12) . .
OW25 Na5 OW29 76.3(15) . .
OW29 Na5 OW19 117.8(18) . .
OW29 Na5 Na4 44.8(10) . .
OW30 Na5 O36 69.0(17) . .
OW30 Na5 O12 125(2) . .
OW30 Na5 OW19 67.2(19) . .
OW30 Na5 Na4 105(2) . .
OW30 Na5 OW25 119(2) . .
Na4 OW29 Na5 71.5(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 U1 4.0501(16) 2
U1 O41 2.089(6) .
U1 O7 2.378(12) .
U1 O7 2.378(12) 7_565
U1 O39 2.386(13) 7_565
U1 O39 2.386(13) .
U1 O45 2.462(17) .
U1 O45 2.462(17) 7_565
U1 O44 2.12(4) .
U1 Na1 3.768(11) .
U2 U2 4.0545(17) 2
U2 O40 2.366(12) 8_655
U2 O40 2.366(12) .
U2 O42 2.105(6) .
U2 O37 2.405(13) 8_655
U2 O37 2.405(13) .
U2 O48 2.411(17) .
U2 O48 2.411(17) 8_655
U2 O46 2.45(2) .
U2 Na1 3.781(11) .
W4 O14 1.943(11) .
W4 O14 1.943(11) 7_565
W4 O16 1.721(16) .
W4 O13 2.334(16) .
W4 O15 1.875(12) 7_565
W4 O15 1.875(11) .
W5 O14 1.946(11) .
W5 O19 1.917(11) .
W5 O11 1.899(11) .
W5 O17 1.948(8) .
W5 O13 2.344(10) .
W5 O12 1.740(12) .
W1 O3 1.890(11) .
W1 O1 1.724(11) .
W1 O4 1.858(12) .
W1 O2 1.915(3) .
W1 O15 1.954(12) 7_565
W1 O9 2.365(11) .
W11 O23 1.934(8) .
W11 O21 1.899(12) .
W11 O24 1.885(11) .
W11 O25 1.920(12) .
W11 O22 1.712(13) .
W11 O26 2.327(10) .
W6 O19 1.920(11) .
W6 O21 1.942(11) .
W6 O40 1.768(12) .
W6 O18 2.078(10) .
W6 O20 2.069(12) .
W6 O39 1.784(13) .
W6 Na1 3.6049(7) .
W2 O7 1.802(12) .
W2 O8 1.955(12) .
W2 O6 1.750(12) .
W2 O4 2.066(12) .
W2 O5 1.926(5) .
W2 O9 2.278(11) .
W10 O28 1.872(11) 8_655
W10 O28 1.872(12) .
W10 O25 1.961(11) .
W10 O25 1.961(11) 8_655
W10 O27 1.745(17) .
W10 O26 2.336(16) .
W7 O24 1.945(11) .
W7 O36 1.921(12) .
W7 O33 2.000(12) .
W7 O20 1.810(12) .
W7 O38 1.726(12) .
W7 O29 2.440(11) .
W3 O11 1.942(11) .
W3 O8 1.919(12) .
W3 O3 2.003(11) .
W3 O18 1.791(10) .
W3 O10 1.705(13) .
W3 O9 2.436(11) .
W9 O28 1.985(11) .
W9 O33 1.890(12) .
W9 O31 1.730(11) .
W9 O29 2.358(12) .
W9 O32 1.867(12) .
W9 O30 1.907(3) .
W8 O35 1.919(5) .
W8 O36 1.964(11) .
W8 O29 2.262(11) .
W8 O37 1.791(13) .
W8 O34 1.746(12) .
W8 O32 2.068(13) .
As1 O13 1.762(15) .
As1 O9 1.769(11) .
As1 O9 1.769(11) 7_565
As2 O29 1.786(12) .
As2 O29 1.786(12) 8_655
As2 O26 1.777(15) .
O41 U1 2.089(6) 2
O41 Na1 2.67(3) .
O23 W11 1.934(7) 8_655
O35 W8 1.919(5) 8_655
O1 Na3 2.406(16) .
O6 Na4 2.324(16) 1_554
O40 Na1 2.821(14) .
O17 W5 1.948(8) 7_565
O36 Na5 2.55(3) .
O13 W5 2.344(10) 7_565
O12 Na5 2.44(5) .
O27 Na3 2.30(2) 5_666
O42 U2 2.104(6) 2
O42 Na1 2.63(3) .
O2 W1 1.915(3) 7_565
O5 W2 1.926(5) 7_565
O15 W1 1.954(12) 7_565
O34 Na4 2.327(16) .
O39 Na1 2.747(13) .
O26 W11 2.327(10) 8_655
O30 W9 1.907(3) 8_655
O48 C2 1.30(2) .
O45 C1 1.32(2) .
C2 O48 1.30(2) 7_565
OW7 Na4 2.26(2) .
OW7 Na5 2.16(5) .
OW9 Na4 2.31(3) .
OW8 Na4 2.62(7) .
OW8 Na5 2.11(11) .
OW10 Na4 2.43(5) .
OW11 Na3 2.36(4) .
OW6 OW6 1.13(11) 2_655
OW6 Na3 2.43(2) 2_655
OW6 Na3 2.43(2) .
OW5 Na2 2.35(2) .
OW19 Na5 2.96(6) .
OW3 Na2 2.56(3) .
OW3 Na2 2.56(3) 8_655
OW4 Na2 2.39(4) .
OW4 Na2 2.39(4) 8_655
OW1 Na2 2.33(3) 8_655
OW1 Na2 2.33(3) .
OW2 Na2 2.30(3) .
C1 O45 1.32(2) 8_655
Na1 W6 3.6050(6) 2
Na1 O40 2.821(14) 7_565
Na1 O40 2.821(14) 8_655
Na1 O40 2.821(14) 2
Na1 O39 2.747(13) 7_565
Na1 O39 2.747(13) 2
Na1 O39 2.747(13) 8_655
Na4 O6 2.324(16) 1_556
Na4 Na5 3.06(4) .
Na4 OW29 2.27(4) .
Na2 Na2 2.98(4) 8_655
Na3 O1 2.406(16) 8_755
Na3 O27 2.30(2) 5_666
Na3 OW11 2.36(4) 8_755
Na3 OW6 2.43(2) 2_655
OW23 OW23 1.63(11) 7_565
OW21 Na5 1.93(5) .
OW22 Na5 1.45(10) .
OW25 Na5 2.70(6) .
Na5 OW29 2.89(7) .
Na5 OW30 2.32(10) .
