#------------------------------------------------------------------------------
#$Date: 2024-07-05 20:24:42 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293169 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/83/7248369.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_7248369
loop_
_publ_author_name
'Li, Ke'
'Liu, Yufeng'
'Yang, Guoping'
'Zheng, Zhijian'
'Lin, Xiaoling'
'Zhang, Zhibin'
'Li, Shujun'
'Liu, Yunhai'
'Wei, Yongge'
_publ_section_title
;
 Highly-stable Silverton-type UIV-containing polyoxomolybdate frameworks
 for the heterogeneous catalytic synthesis of quinazolinones
;
_journal_issue                   11
_journal_name_full               'Green Chemistry'
_journal_page_first              6454
_journal_page_last               6460
_journal_paper_doi               10.1039/D4GC00877D
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'Mo12 Na5.8 O54 U, 1.5(O)'
_chemical_formula_sum            'H29.2 Mo12 Na5.8 O55.5 U'
_chemical_formula_weight         2440.08
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_primary     dual
_audit_creation_date             2023-09-20
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-09-20 deposited with the CCDC.	2024-04-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   19.0319(3)
_cell_length_b                   19.0319(3)
_cell_length_c                   11.4460(5)
_cell_measurement_reflns_used    9996
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      28.294
_cell_measurement_theta_min      2.167
_cell_volume                     3590.45(18)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_unetI/netI     0.0192
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11019
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.298
_diffrn_reflns_theta_min         2.140
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    6.584
_exptl_absorpt_correction_T_max  0.0962
_exptl_absorpt_correction_T_min  0.0614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1481 before and 0.0594 after correction.
The Ratio of minimum to maximum transmission is 0.6383.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    3.386
_exptl_crystal_description       block
_exptl_crystal_F_000             3399
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: H2O'
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.106
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     167
_refine_ls_number_reflns         1985
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0215
_refine_ls_R_factor_gt           0.0201
_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)+(0.0211P)²+28.3595P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0487
_refine_ls_wR_factor_ref         0.0494
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1918
_reflns_number_total             1985
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4gc00877d2.cif
_cod_data_source_block           naumo12
_cod_depositor_comments
'Adding full bibliography for 7248368--7248371.cif.'
_cod_original_cell_volume        3590.45(19)
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'H29.20 Mo12 Na5.80 O55.50 U'
_cod_database_code               7248369
_shelx_shelxl_version_number     2018/3
_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_max   0.621
_shelx_estimated_absorpt_t_min   0.459
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(O9A) \\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(O8A) \\sim Ueq, Uanis(O8B)
\\sim Ueq, Uanis(O8C) \\sim Ueq, Uanis(O8D) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.01
Uanis(Na2) \\sim Ueq, Uanis(Na2A) \\sim Ueq: with sigma of 0.003 and sigma for
terminal atoms of 0.006
2. Others
 Fixed Sof: Na2(0.5) Na2A(0.3) O8(0.45) O8C(0.2) O8D(0.1) O9(0.75) O9A(0.25)
 O8A(0.25) O8B(0.25)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 0.666667 0.333333 0.333333 0.01233(8) Uani 1 6 d S T P . .
Mo1 Mo 0.56103(2) 0.43420(2) 0.41365(3) 0.01589(8) Uani 1 1 d . . . . .
Mo2 Mo 0.53222(2) 0.28645(2) 0.56968(3) 0.01444(8) Uani 1 1 d . . . . .
Na1 Na 0.666667 0.333333 0.833333 0.0174(7) Uani 1 6 d S T P . .
Na2 Na 0.3391(3) 0.0722(3) 0.4963(4) 0.0256(9) Uani 0.5 1 d . U P A 1
Na2A Na 0.3463(5) 0.0753(5) 0.5417(7) 0.0316(18) Uani 0.3 1 d . U P A 2
O1 O 0.59831(14) 0.24528(14) 0.5073(2) 0.0149(5) Uani 1 1 d . . . . .
O2 O 0.56068(16) 0.30230(16) 0.7144(2) 0.0199(5) Uani 1 1 d . . . . .
O3 O 0.43787(16) 0.20292(17) 0.5747(2) 0.0231(5) Uani 1 1 d . . . . .
O4 O 0.50392(15) 0.37081(16) 0.5521(2) 0.0201(5) Uani 1 1 d . . . . .
O5 O 0.63622(14) 0.44420(14) 0.2905(2) 0.0158(5) Uani 1 1 d . . . . .
O6 O 0.60787(17) 0.53051(16) 0.4694(2) 0.0249(6) Uani 1 1 d . . . . .
O7 O 0.48128(16) 0.42698(17) 0.3355(2) 0.0241(6) Uani 1 1 d . . . . .
O8 O 0.2787(5) -0.0542(4) 0.4082(9) 0.0382(17) Uani 0.45 1 d . U P A 1
O8C O 0.2743(10) -0.0546(10) 0.4901(19) 0.038(4) Uani 0.2 1 d . U P A 2
O8D O 0.2636(16) -0.0334(18) 0.589(3) 0.028(6) Uani 0.1 1 d . U P A 1
O9 O 0.2431(3) 0.1146(4) 0.4619(6) 0.0459(14) Uani 0.75 1 d . . P A 1
O9A O 0.2320(11) 0.0759(12) 0.4388(18) 0.050(5) Uani 0.25 1 d . U P A 2
O8A O 0.2744(8) 0.0067(8) 0.3051(11) 0.038(3) Uani 0.25 1 d . U P B 2
O8B O 0.3195(9) -0.0353(8) 0.3445(12) 0.036(3) Uani 0.25 1 d . U P A -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mo Mo -1.6832 0.6857 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 U1 O1 63.51(9) 18_545 16_655 ?
O1 U1 O1 180.0 2_655 17 ?
O1 U1 O1 63.51(9) 2_655 3_665 ?
O1 U1 O1 63.51(9) 16_655 17 ?
O1 U1 O1 180.0 18_545 3_665 ?
O1 U1 O1 116.49(9) 16_655 3_665 ?
O1 U1 O1 63.51(9) . 3_665 ?
O1 U1 O1 116.49(9) 18_545 2_655 ?
O1 U1 O1 116.49(9) 18_545 . ?
O1 U1 O1 116.49(9) . 17 ?
O1 U1 O1 180.0 16_655 . ?
O1 U1 O1 116.49(9) 16_655 2_655 ?
O1 U1 O1 63.51(9) 2_655 . ?
O1 U1 O1 63.51(9) 18_545 17 ?
O1 U1 O1 116.49(9) 17 3_665 ?
O5 U1 O1 116.69(8) 3_665 . ?
O5 U1 O1 116.69(8) 16_655 17 ?
O5 U1 O1 116.69(8) 2_655 3_665 ?
O5 U1 O1 63.88(8) 2_655 . ?
O5 U1 O1 63.88(8) 17 16_655 ?
O5 U1 O1 116.69(8) 17 18_545 ?
O5 U1 O1 62.74(8) . 16_655 ?
O5 U1 O1 63.31(8) 18_545 . ?
O5 U1 O1 116.12(8) 3_665 17 ?
O5 U1 O1 117.26(8) . . ?
O5 U1 O1 63.31(8) 2_655 18_545 ?
O5 U1 O1 117.26(8) 18_545 18_545 ?
O5 U1 O1 62.74(8) 16_655 . ?
O5 U1 O1 116.11(8) . 18_545 ?
O5 U1 O1 117.26(8) 16_655 16_655 ?
O5 U1 O1 62.74(8) 2_655 17 ?
O5 U1 O1 117.26(8) 2_655 2_655 ?
O5 U1 O1 63.88(8) 18_545 17 ?
O5 U1 O1 63.31(8) 16_655 2_655 ?
O5 U1 O1 116.12(8) 2_655 16_655 ?
O5 U1 O1 116.11(8) 16_655 3_665 ?
O5 U1 O1 116.69(8) 18_545 16_655 ?
O5 U1 O1 62.74(8) 17 2_655 ?
O5 U1 O1 117.26(8) 3_665 3_665 ?
O5 U1 O1 63.31(8) 3_665 16_655 ?
O5 U1 O1 63.31(8) 17 3_665 ?
O5 U1 O1 116.12(8) 18_545 2_655 ?
O5 U1 O1 63.89(8) . 3_665 ?
O5 U1 O1 62.74(8) 18_545 3_665 ?
O5 U1 O1 63.88(8) 16_655 18_545 ?
O5 U1 O1 116.69(8) . 2_655 ?
O5 U1 O1 63.88(8) 3_665 2_655 ?
O5 U1 O1 117.26(8) 17 17 ?
O5 U1 O1 116.12(8) 17 . ?
O5 U1 O1 62.74(8) 3_665 18_545 ?
O5 U1 O1 63.31(8) . 17 ?
O5 U1 O5 180.0 2_655 17 ?
O5 U1 O5 63.75(4) 18_545 . ?
O5 U1 O5 116.26(4) 3_665 . ?
O5 U1 O5 63.75(4) 17 . ?
O5 U1 O5 116.25(4) 3_665 2_655 ?
O5 U1 O5 116.25(4) 16_655 17 ?
O5 U1 O5 63.75(4) 2_655 18_545 ?
O5 U1 O5 116.25(4) 16_655 18_545 ?
O5 U1 O5 116.25(4) 17 18_545 ?
O5 U1 O5 63.74(4) 16_655 2_655 ?
O5 U1 O5 180.0 16_655 . ?
O5 U1 O5 180.0 3_665 18_545 ?
O5 U1 O5 63.74(4) 16_655 3_665 ?
O5 U1 O5 116.26(4) 2_655 . ?
O5 U1 O5 63.75(4) 3_665 17 ?
Mo2 Mo1 U1 63.410(8) . . ?
O1 Mo1 U1 45.13(6) 3_665 . ?
O1 Mo1 Mo2 47.04(6) 3_665 . ?
O4 Mo1 U1 99.64(7) . . ?
O4 Mo1 Mo2 36.24(7) . . ?
O4 Mo1 O1 72.88(9) . 3_665 ?
O4 Mo1 O5 73.00(10) . 18_545 ?
O5 Mo1 U1 43.44(7) . . ?
O5 Mo1 U1 44.95(6) 18_545 . ?
O5 Mo1 Mo2 45.74(6) 18_545 . ?
O5 Mo1 Mo2 106.84(7) . . ?
O5 Mo1 O1 69.66(8) 18_545 3_665 ?
O5 Mo1 O1 77.03(9) . 3_665 ?
O5 Mo1 O4 143.08(10) . . ?
O5 Mo1 O5 76.85(11) . 18_545 ?
O6 Mo1 U1 123.16(9) . . ?
O6 Mo1 Mo2 120.78(10) . . ?
O6 Mo1 O1 93.17(11) . 3_665 ?
O6 Mo1 O4 100.94(12) . . ?
O6 Mo1 O5 101.60(12) . . ?
O6 Mo1 O5 162.74(11) . 18_545 ?
O7 Mo1 U1 123.07(9) . . ?
O7 Mo1 Mo2 118.41(10) . . ?
O7 Mo1 O1 162.21(11) . 3_665 ?
O7 Mo1 O4 100.19(12) . . ?
O7 Mo1 O5 92.73(11) . 18_545 ?
O7 Mo1 O5 102.05(12) . . ?
O7 Mo1 O6 104.34(13) . . ?
Mo1 Mo2 U1 63.657(8) . . ?
O1 Mo2 U1 43.63(7) . . ?
O1 Mo2 U1 45.30(6) 3_665 . ?
O1 Mo2 Mo1 107.28(7) . . ?
O1 Mo2 Mo1 46.57(6) 3_665 . ?
O1 Mo2 O1 76.74(13) . 3_665 ?
O1 Mo2 O4 143.82(10) . . ?
O1 Mo2 O5 77.65(9) . 18_545 ?
O2 Mo2 U1 124.76(9) . . ?
O2 Mo2 Mo1 119.44(9) . . ?
O2 Mo2 O1 102.50(11) . . ?
O2 Mo2 O1 93.79(11) . 3_665 ?
O2 Mo2 O4 98.50(12) . . ?
O2 Mo2 O5 163.29(11) . 18_545 ?
O3 Mo2 U1 123.79(9) . . ?
O3 Mo2 Mo1 119.05(9) . . ?
O3 Mo2 O1 103.38(12) . . ?
O3 Mo2 O1 162.73(11) . 3_665 ?
O3 Mo2 O2 102.93(12) . . ?
O3 Mo2 O4 100.16(12) . . ?
O3 Mo2 O5 93.17(11) . 18_545 ?
O4 Mo2 U1 100.24(8) . . ?
O4 Mo2 Mo1 36.59(7) . . ?
O4 Mo2 O1 72.75(10) . 3_665 ?
O4 Mo2 O5 73.95(10) . 18_545 ?
O5 Mo2 U1 45.03(6) 18_545 . ?
O5 Mo2 Mo1 46.50(6) 18_545 . ?
O5 Mo2 O1 69.85(9) 18_545 3_665 ?
O2 Na1 O2 92.70(9) 3_665 17_556 ?
O2 Na1 O2 87.30(9) 2_655 3_665 ?
O2 Na1 O2 87.30(9) 16_656 18_546 ?
O2 Na1 O2 92.70(9) 16_656 3_665 ?
O2 Na1 O2 87.30(9) . 3_665 ?
O2 Na1 O2 87.30(9) 2_655 . ?
O2 Na1 O2 92.70(9) . 17_556 ?
O2 Na1 O2 180.00(9) 2_655 17_556 ?
O2 Na1 O2 87.30(9) 18_546 17_556 ?
O2 Na1 O2 87.30(9) 16_656 17_556 ?
O2 Na1 O2 92.70(9) . 18_546 ?
O2 Na1 O2 92.70(9) 2_655 16_656 ?
O2 Na1 O2 92.70(9) 2_655 18_546 ?
O2 Na1 O2 180.0 . 16_656 ?
O2 Na1 O2 180.0 18_546 3_665 ?
O3 Na2 O6 75.84(16) . 2_655 ?
O3 Na2 O8 73.6(2) . 6 ?
O3 Na2 O8B 143.1(4) . . ?
O6 Na2 O8 96.1(2) 2_655 6 ?
O6 Na2 O8B 71.8(4) 2_655 . ?
O7 Na2 O3 78.24(16) 18_545 . ?
O7 Na2 O6 77.77(16) 18_545 2_655 ?
O7 Na2 O8 97.4(3) 18_545 . ?
O7 Na2 O8 151.8(3) 18_545 6 ?
O7 Na2 O9 77.5(2) 18_545 . ?
O7 Na2 O8B 78.1(4) 18_545 . ?
O8 Na2 O3 163.1(3) . . ?
O8 Na2 O6 87.3(3) . 2_655 ?
O8 Na2 O8 109.9(3) . 6 ?
O8 Na2 O9 102.4(3) . . ?
O8 Na2 O8B 22.7(4) . . ?
O8D Na2 O3 127.6(8) . . ?
O8D Na2 O6 107.4(8) . 2_655 ?
O8D Na2 O7 154.2(8) . 18_545 ?
O8D Na2 O8 58.3(8) . . ?
O8D Na2 O8 54.0(8) . 6 ?
O8D Na2 O9 97.8(8) . . ?
O8D Na2 O8B 79.6(9) . . ?
O9 Na2 O3 92.7(2) . . ?
O9 Na2 O6 154.4(2) . 2_655 ?
O9 Na2 O8 102.5(3) . 6 ?
O9 Na2 O8B 109.2(4) . . ?
O8B Na2 O8 126.6(4) . 6 ?
O3 Na2A O6 79.5(3) . 2_655 ?
O3 Na2A O7 73.7(3) . 18_545 ?
O3 Na2A O8C 168.4(6) . . ?
O3 Na2A O9A 106.8(6) . . ?
O6 Na2A O7 70.1(2) 2_655 18_545 ?
O6 Na2A O9A 132.0(5) 2_655 . ?
O8C Na2A O6 88.9(5) . 2_655 ?
O8C Na2A O7 101.1(6) . 18_545 ?
O8C Na2A O9A 79.9(7) . . ?
O9A Na2A O7 66.7(5) . 18_545 ?
O8A Na2A O3 82.6(6) 6 . ?
O8A Na2A O6 63.9(5) 6 2_655 ?
O8A Na2A O7 131.2(6) 6 18_545 ?
O8A Na2A O8C 93.7(8) 6 . ?
O8A Na2A O9A 162.1(8) 6 . ?
Mo1 O1 U1 94.65(8) 2_655 . ?
Mo1 O1 Mo2 86.39(8) 2_655 2_655 ?
Mo2 O1 U1 93.94(8) 2_655 . ?
Mo2 O1 U1 104.44(10) . . ?
Mo2 O1 Mo1 131.86(12) . 2_655 ?
Mo2 O1 Mo2 134.39(12) . 2_655 ?
Mo2 O2 Na1 142.07(14) . . ?
Mo2 O3 Na2 149.56(18) . . ?
Mo2 O3 Na2A 155.2(3) . . ?
Mo2 O4 Mo1 107.16(12) . . ?
Mo1 O5 U1 94.97(8) 17 . ?
Mo1 O5 U1 104.15(10) . . ?
Mo1 O5 Mo1 132.27(12) . 17 ?
Mo1 O5 Mo2 132.06(12) . 17 ?
Mo2 O5 U1 95.43(8) 17 . ?
Mo2 O5 Mo1 87.76(8) 17 17 ?
Mo1 O6 Na2 148.51(18) . 3_665 ?
Mo1 O6 Na2A 151.8(3) . 3_665 ?
Na2 O6 Na2A 12.42(17) 3_665 3_665 ?
Mo1 O7 Na2 152.93(19) . 17 ?
Mo1 O7 Na2A 145.5(2) . 17 ?
Na2 O7 Na2A 7.6(2) 17 17 ?
Na2 O8 Na2 119.7(3) . 8_544 ?
O8B O8 Na2 92.9(9) . . ?
O8B O8 Na2 48.6(9) . 8_544 ?
O8 O8B Na2 64.4(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U1 O1 2.507(2) 18_545 ?
U1 O1 2.507(2) 2_655 ?
U1 O1 2.507(2) 16_655 ?
U1 O1 2.507(2) 17 ?
U1 O1 2.507(2) . ?
U1 O1 2.507(2) 3_665 ?
U1 O5 2.500(2) 16_655 ?
U1 O5 2.500(2) 18_545 ?
U1 O5 2.500(2) 3_665 ?
U1 O5 2.500(2) . ?
U1 O5 2.500(2) 17 ?
U1 O5 2.500(2) 2_655 ?
Mo1 Mo2 3.1394(4) . ?
Mo1 O1 2.284(2) 3_665 ?
Mo1 O4 1.959(3) . ?
Mo1 O5 2.279(2) 18_545 ?
Mo1 O5 1.949(2) . ?
Mo1 O6 1.711(3) . ?
Mo1 O7 1.707(3) . ?
Mo2 O1 1.921(2) . ?
Mo2 O1 2.302(2) 3_665 ?
Mo2 O2 1.722(3) . ?
Mo2 O3 1.703(3) . ?
Mo2 O4 1.943(2) . ?
Mo2 O5 2.250(2) 18_545 ?
Na1 O2 2.254(3) 3_665 ?
Na1 O2 2.254(3) 17_556 ?
Na1 O2 2.254(3) 16_656 ?
Na1 O2 2.254(3) 2_655 ?
Na1 O2 2.254(3) 18_546 ?
Na1 O2 2.254(3) . ?
Na2 O3 2.418(5) . ?
Na2 O6 2.453(6) 2_655 ?
Na2 O7 2.274(5) 18_545 ?
Na2 O8 2.822(11) 6 ?
Na2 O8 2.317(9) . ?
Na2 O8D 2.08(3) . ?
Na2 O9 2.371(7) . ?
Na2 O8B 2.566(14) . ?
Na2A O3 2.201(9) . ?
Na2A O6 2.469(10) 2_655 ?
Na2A O7 2.692(9) 18_545 ?
Na2A O8C 2.225(18) . ?
Na2A O9A 2.48(2) . ?
Na2A O8A 1.625(17) 6 ?
O8 O8B 0.992(16) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
U1 Mo1 O6 Na2 19.1(4) . . . 3_665 ?
U1 Mo1 O6 Na2A -5.1(5) . . . 3_665 ?
U1 Mo1 O7 Na2 -20.3(5) . . . 17 ?
U1 Mo1 O7 Na2A -23.8(5) . . . 17 ?
U1 Mo2 O2 Na1 -12.0(3) . . . . ?
U1 Mo2 O3 Na2 12.5(4) . . . . ?
U1 Mo2 O3 Na2A 35.8(7) . . . . ?
Mo1 Mo2 O2 Na1 -88.8(2) . . . . ?
Mo1 Mo2 O3 Na2 88.6(4) . . . . ?
Mo1 Mo2 O3 Na2A 112.0(6) . . . . ?
Mo2 Mo1 O6 Na2 95.6(4) . . . 3_665 ?
Mo2 Mo1 O6 Na2A 71.4(5) . . . 3_665 ?
Mo2 Mo1 O7 Na2 -95.5(4) . . . 17 ?
Mo2 Mo1 O7 Na2A -99.1(4) . . . 17 ?
Na2 O8 O8B Na2 128.0(7) 8_544 . . . ?
O1 Mo1 O6 Na2 55.2(4) 3_665 . . 3_665 ?
O1 Mo1 O6 Na2A 31.0(5) 3_665 . . 3_665 ?
O1 Mo1 O7 Na2 -63.7(6) 3_665 . . 17 ?
O1 Mo1 O7 Na2A -67.2(6) 3_665 . . 17 ?
O1 Mo2 O2 Na1 -47.7(2) 3_665 . . . ?
O1 Mo2 O2 Na1 29.6(2) . . . . ?
O1 Mo2 O3 Na2 58.2(6) 3_665 . . . ?
O1 Mo2 O3 Na2 -30.1(4) . . . . ?
O1 Mo2 O3 Na2A -6.8(7) . . . . ?
O1 Mo2 O3 Na2A 81.5(8) 3_665 . . . ?
O2 Mo2 O3 Na2 -136.6(4) . . . . ?
O2 Mo2 O3 Na2A -113.2(6) . . . . ?
O3 Mo2 O2 Na1 136.7(2) . . . . ?
O4 Mo1 O6 Na2 128.4(3) . . . 3_665 ?
O4 Mo1 O6 Na2A 104.2(5) . . . 3_665 ?
O4 Mo1 O7 Na2 -128.9(4) . . . 17 ?
O4 Mo1 O7 Na2A -132.5(4) . . . 17 ?
O4 Mo2 O2 Na1 -120.8(2) . . . . ?
O4 Mo2 O3 Na2 122.2(4) . . . . ?
O4 Mo2 O3 Na2A 145.5(6) . . . . ?
O5 Mo1 O6 Na2 -22.2(4) . . . 3_665 ?
O5 Mo1 O6 Na2 60.8(6) 18_545 . . 3_665 ?
O5 Mo1 O6 Na2A 36.6(7) 18_545 . . 3_665 ?
O5 Mo1 O6 Na2A -46.4(5) . . . 3_665 ?
O5 Mo1 O7 Na2 -55.7(5) 18_545 . . 17 ?
O5 Mo1 O7 Na2 21.4(5) . . . 17 ?
O5 Mo1 O7 Na2A 17.8(5) . . . 17 ?
O5 Mo1 O7 Na2A -59.3(5) 18_545 . . 17 ?
O5 Mo2 O2 Na1 -59.1(5) 18_545 . . . ?
O5 Mo2 O3 Na2 47.9(4) 18_545 . . . ?
O5 Mo2 O3 Na2A 71.2(6) 18_545 . . . ?
O6 Mo1 O7 Na2 126.9(4) . . . 17 ?
O6 Mo1 O7 Na2A 123.3(4) . . . 17 ?
O7 Mo1 O6 Na2 -128.0(4) . . . 3_665 ?
O7 Mo1 O6 Na2A -152.2(5) . . . 3_665 ?
