#------------------------------------------------------------------------------
#$Date: 2020-09-06 10:23:10 +0200 (dom 06 de sep de 2020) $
#$Revision: 255978 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/69/7126982.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_7126982
loop_
_publ_author_name
'Liu, Jin-Hua'
'Lin, Li-Dan'
'Wang, Guo-Qiang'
'Li, Ling-Yun'
'Sun, Yan-Qiong'
'Li, Xin-Xiong'
'Zheng, Shou-Tian'
_publ_section_title
;
 All-inorganic open frameworks based on gigantic four-shell
 Ln@W₈@Ln₈@(SiW₁₂)₆ clusters.
;
_journal_issue                   71
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10305
_journal_page_last               10308
_journal_paper_doi               10.1039/d0cc04070c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'H129 La9 O240 Si3 W44'
_chemical_formula_weight         13393.88
_space_group_crystal_system      cubic
_space_group_IT_number           226
_space_group_name_Hall           '-F 4a 2 3'
_space_group_name_H-M_alt        'F m -3 c'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-09 deposited with the CCDC.	2020-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   37.5612(3)
_cell_length_b                   37.5612(3)
_cell_length_c                   37.5612(3)
_cell_measurement_reflns_used    41565
_cell_measurement_temperature    175(2)
_cell_measurement_theta_max      25.031
_cell_measurement_theta_min      3.068
_cell_volume                     52993.0(7)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      175(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_measurement_method       'Omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0131
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            38112
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.031
_diffrn_reflns_theta_max         25.031
_diffrn_reflns_theta_min         2.425
_exptl_absorpt_coefficient_mu    20.543
_exptl_absorpt_correction_T_max  0.2586
_exptl_absorpt_correction_T_min  0.2101
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    3.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             46880
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_platon_squeeze_details          ' ?'
_refine_diff_density_max         3.023
_refine_diff_density_min         -2.312
_refine_diff_density_rms         0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     112
_refine_ls_number_reflns         2067
_refine_ls_number_restraints     74
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0430P)²+4146.2720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0916
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1941
_reflns_number_total             2067
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc04070c3.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7126982.cif.'
_cod_original_cell_volume        52993.0(13)
_cod_original_sg_symbol_Hall     '-F 4c 2 3'
_cod_database_code               7126982
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.2101
_shelx_estimated_absorpt_t_max   0.2586
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'x+1/2, z+1/2, -y+1/2'
'-x+1/2, z+1/2, y+1/2'
'-x+1/2, -z+1/2, -y+1/2'
'x+1/2, -z+1/2, y+1/2'
'z+1/2, y+1/2, -x+1/2'
'z+1/2, -y+1/2, x+1/2'
'-z+1/2, y+1/2, x+1/2'
'-z+1/2, -y+1/2, -x+1/2'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y+1/2, x+1, -z+1'
'-y+1/2, -x+1, -z+1'
'y+1/2, -x+1, z+1'
'-y+1/2, x+1, z+1'
'x+1/2, z+1, -y+1'
'-x+1/2, z+1, y+1'
'-x+1/2, -z+1, -y+1'
'x+1/2, -z+1, y+1'
'z+1/2, y+1, -x+1'
'z+1/2, -y+1, x+1'
'-z+1/2, y+1, x+1'
'-z+1/2, -y+1, -x+1'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1, x+1/2, -z+1'
'-y+1, -x+1/2, -z+1'
'y+1, -x+1/2, z+1'
'-y+1, x+1/2, z+1'
'x+1, z+1/2, -y+1'
'-x+1, z+1/2, y+1'
'-x+1, -z+1/2, -y+1'
'x+1, -z+1/2, y+1'
'z+1, y+1/2, -x+1'
'z+1, -y+1/2, x+1'
'-z+1, y+1/2, x+1'
'-z+1, -y+1/2, -x+1'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1, x+1, -z+1/2'
'-y+1, -x+1, -z+1/2'
'y+1, -x+1, z+1/2'
'-y+1, x+1, z+1/2'
'x+1, z+1, -y+1/2'
'-x+1, z+1, y+1/2'
'-x+1, -z+1, -y+1/2'
'x+1, -z+1, y+1/2'
'z+1, y+1, -x+1/2'
'z+1, -y+1, x+1/2'
'-z+1, y+1, x+1/2'
'-z+1, -y+1, -x+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y-1/2, -x-1/2, z-1/2'
'y-1/2, x-1/2, z-1/2'
'-y-1/2, x-1/2, -z-1/2'
'y-1/2, -x-1/2, -z-1/2'
'-x-1/2, -z-1/2, y-1/2'
'x-1/2, -z-1/2, -y-1/2'
'x-1/2, z-1/2, y-1/2'
'-x-1/2, z-1/2, -y-1/2'
'-z-1/2, -y-1/2, x-1/2'
'-z-1/2, y-1/2, -x-1/2'
'z-1/2, -y-1/2, -x-1/2'
'z-1/2, y-1/2, x-1/2'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y-1/2, -x, z'
'y-1/2, x, z'
'-y-1/2, x, -z'
'y-1/2, -x, -z'
'-x-1/2, -z, y'
'x-1/2, -z, -y'
'x-1/2, z, y'
'-x-1/2, z, -y'
'-z-1/2, -y, x'
'-z-1/2, y, -x'
'z-1/2, -y, -x'
'z-1/2, y, x'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y, -x-1/2, z'
'y, x-1/2, z'
'-y, x-1/2, -z'
'y, -x-1/2, -z'
'-x, -z-1/2, y'
'x, -z-1/2, -y'
'x, z-1/2, y'
'-x, z-1/2, -y'
'-z, -y-1/2, x'
'-z, y-1/2, -x'
'z, -y-1/2, -x'
'z, y-1/2, x'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y, -x, z-1/2'
'y, x, z-1/2'
'-y, x, -z-1/2'
'y, -x, -z-1/2'
'-x, -z, y-1/2'
'x, -z, -y-1/2'
'x, z, y-1/2'
'-x, z, -y-1/2'
'-z, -y, x-1/2'
'-z, y, -x-1/2'
'z, -y, -x-1/2'
'z, y, x-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.0000 0.0000 0.0000 0.0152(5) Uani 1 24 d S T P . .
La2 La 0.09878(2) 0.09878(2) 0.09878(2) 0.0176(2) Uani 1 3 d S T P . .
W1 W 0.04938(2) 0.04499(2) 0.18486(2) 0.02897(15) Uani 1 1 d . . . . .
W2 W 0.09427(2) 0.0000 0.24580(2) 0.0328(2) Uani 0.8145 2 d DS T P . .
W2A W 0.12169(9) 0.0000 0.25378(11) 0.0429(9) Uani 0.1855 2 d DS TU P . .
W3 W 0.05994(2) 0.0000 0.08575(2) 0.01925(19) Uani 0.6667 2 d S T P . .
Si1 Si 0.0000 0.0000 0.2500 0.0205(14) Uani 1 8 d S T P . .
O1 O 0.0619(2) 0.0000 0.0375(2) 0.027(2) Uani 1 2 d S TU P . .
O1W O 0.1428(3) 0.0172(3) 0.1542(3) 0.077(3) Uani 1 1 d . U . . .
O2 O 0.09072(18) 0.03523(16) 0.09325(18) 0.0307(15) Uani 1 1 d . U . . .
O2W O 0.13834(13) 0.0000 0.2564(3) 0.0422(16) Uani 1 2 d DS TU P . .
O3 O 0.0656(2) 0.0743(2) 0.15378(19) 0.0422(16) Uani 1 1 d . U . . .
O3W O 0.1419(3) 0.0782(4) 0.1502(3) 0.102(4) Uani 1 1 d . U . . .
O4 O 0.07607(17) 0.03498(18) 0.27937(17) 0.0297(15) Uani 1 1 d . U . . .
O5 O 0.0000 0.0427(2) 0.1713(2) 0.030(2) Uani 1 2 d S TU P . .
O6 O 0.0567(2) 0.0000 0.1597(2) 0.027(2) Uani 1 2 d S TU P . .
O7 O 0.0349(2) 0.0000 0.2243(2) 0.0218(18) Uani 1 2 d S TU P . .
O8 O 0.09332(19) -0.03618(19) 0.20932(18) 0.0347(16) Uani 1 1 d . U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 La1 O1 116.32(9) . 105 ?
O1 La1 O1 63.68(9) . 9 ?
O1 La1 O1 180.0(4) 105 9 ?
O1 La1 O1 180.0(4) . 97 ?
O1 La1 O1 63.68(9) 105 97 ?
O1 La1 O1 116.32(9) 9 97 ?
O1 La1 O1 116.32(9) . 101 ?
O1 La1 O1 63.68(9) 105 101 ?
O1 La1 O1 116.32(9) 9 101 ?
O1 La1 O1 63.68(9) 97 101 ?
O1 La1 O1 63.68(9) . 5 ?
O1 La1 O1 116.32(9) 105 5 ?
O1 La1 O1 63.68(9) 9 5 ?
O1 La1 O1 116.32(9) 97 5 ?
O1 La1 O1 180.0(4) 101 5 ?
O1 La1 O1 63.68(9) . 106 ?
O1 La1 O1 117.5(4) 105 106 ?
O1 La1 O1 62.5(4) 9 106 ?
O1 La1 O1 116.32(9) 97 106 ?
O1 La1 O1 63.68(9) 101 106 ?
O1 La1 O1 116.32(9) 5 106 ?
O1 La1 O1 63.68(9) . 6 ?
O1 La1 O1 63.68(9) 105 6 ?
O1 La1 O1 116.32(9) 9 6 ?
O1 La1 O1 116.32(9) 97 6 ?
O1 La1 O1 62.5(4) 101 6 ?
O1 La1 O1 117.5(4) 5 6 ?
O1 La1 O1 63.68(9) 106 6 ?
O1 La1 O1 116.32(9) . 102 ?
O1 La1 O1 116.32(9) 105 102 ?
O1 La1 O1 63.68(9) 9 102 ?
O1 La1 O1 63.68(9) 97 102 ?
O1 La1 O1 117.5(4) 101 102 ?
O1 La1 O1 62.5(4) 5 102 ?
O1 La1 O1 116.32(9) 106 102 ?
O1 La1 O1 180.0(4) 6 102 ?
O1 La1 O1 117.5(4) . 2 ?
O1 La1 O1 116.32(9) 105 2 ?
O1 La1 O1 63.68(9) 9 2 ?
O1 La1 O1 62.5(4) 97 2 ?
O1 La1 O1 63.68(9) 101 2 ?
O1 La1 O1 116.32(9) 5 2 ?
O1 La1 O1 63.68(9) 106 2 ?
O1 La1 O1 116.32(9) 6 2 ?
O1 La1 O1 63.68(9) 102 2 ?
O1 La1 O1 62.5(4) . 98 ?
O1 La1 O1 63.68(9) 105 98 ?
O1 La1 O1 116.32(9) 9 98 ?
O1 La1 O1 117.5(4) 97 98 ?
O1 La1 O1 116.32(9) 101 98 ?
O1 La1 O1 63.68(9) 5 98 ?
O1 La1 O1 116.32(9) 106 98 ?
O1 La1 O1 63.68(9) 6 98 ?
O1 La1 O1 116.32(9) 102 98 ?
O1 La1 O1 180.0(4) 2 98 ?
O1 La1 O1 116.32(9) . 10 ?
O1 La1 O1 62.5(4) 105 10 ?
O1 La1 O1 117.5(4) 9 10 ?
O1 La1 O1 63.68(9) 97 10 ?
O1 La1 O1 116.32(9) 101 10 ?
O1 La1 O1 63.68(9) 5 10 ?
O1 La1 O1 180.0(4) 106 10 ?
O1 La1 O1 116.32(9) 6 10 ?
O1 La1 O1 63.68(9) 102 10 ?
O1 La1 O1 116.32(9) 2 10 ?
O1 La1 O1 63.68(9) 98 10 ?
O2 La2 O2 77.3(3) 9 5 ?
O2 La2 O2 77.3(3) 9 . ?
O2 La2 O2 77.3(3) 5 . ?
O2 La2 O3 69.9(2) 9 9 ?
O2 La2 O3 65.9(2) 5 9 ?
O2 La2 O3 134.8(2) . 9 ?
O2 La2 O3 134.8(2) 9 5 ?
O2 La2 O3 69.9(2) 5 5 ?
O2 La2 O3 65.9(2) . 5 ?
O3 La2 O3 119.947(13) 9 5 ?
O2 La2 O3 65.9(2) 9 . ?
O2 La2 O3 134.8(2) 5 . ?
O2 La2 O3 69.9(2) . . ?
O3 La2 O3 119.944(14) 9 . ?
O3 La2 O3 119.950(13) 5 . ?
O2 La2 O3W 81.3(4) 9 9 ?
O2 La2 O3W 132.3(3) 5 9 ?
O2 La2 O3W 137.8(3) . 9 ?
O3 La2 O3W 66.8(3) 9 9 ?
O3 La2 O3W 143.9(4) 5 9 ?
O3 La2 O3W 68.2(3) . 9 ?
O2 La2 O3W 137.8(3) 9 5 ?
O2 La2 O3W 81.3(4) 5 5 ?
O2 La2 O3W 132.3(3) . 5 ?
O3 La2 O3W 68.2(3) 9 5 ?
O3 La2 O3W 66.8(3) 5 5 ?
O3 La2 O3W 143.9(4) . 5 ?
O3W La2 O3W 86.9(5) 9 5 ?
O2 La2 O3W 132.3(3) 9 . ?
O2 La2 O3W 137.8(3) 5 . ?
O2 La2 O3W 81.4(4) . . ?
O3 La2 O3W 143.9(4) 9 . ?
O3 La2 O3W 68.2(3) 5 . ?
O3 La2 O3W 66.8(3) . . ?
O3W La2 O3W 86.9(5) 9 . ?
O3W La2 O3W 86.9(5) 5 . ?
O3 W1 O4 101.1(3) . 85_445 ?
O3 W1 O8 97.6(3) . 99 ?
O4 W1 O8 90.7(3) 85_445 99 ?
O3 W1 O5 100.9(4) . . ?
O4 W1 O5 86.5(3) 85_445 . ?
O8 W1 O5 161.5(3) 99 . ?
O3 W1 O6 100.1(3) . . ?
O4 W1 O6 158.8(3) 85_445 . ?
O8 W1 O6 87.8(3) 99 . ?
O5 W1 O6 88.2(4) . . ?
O3 W1 O7 171.1(3) . . ?
O4 W1 O7 85.8(2) 85_445 . ?
O8 W1 O7 76.6(3) 99 . ?
O5 W1 O7 84.9(3) . . ?
O6 W1 O7 73.2(3) . . ?
W2A W2 O2W 2.7(5) . . ?
W2A W2 O8 102.5(3) . . ?
O2W W2 O8 100.6(4) . . ?
W2A W2 O8 102.5(3) . 99 ?
O2W W2 O8 100.6(4) . 99 ?
O8 W2 O8 89.5(4) . 99 ?
W2A W2 O4 99.0(3) . . ?
O2W W2 O4 100.9(3) . . ?
O8 W2 O4 158.3(3) . . ?
O8 W2 O4 88.7(3) 99 . ?
W2A W2 O4 99.0(3) . 99 ?
O2W W2 O4 100.9(3) . 99 ?
O8 W2 O4 88.7(3) . 99 ?
O8 W2 O4 158.3(3) 99 99 ?
O4 W2 O4 85.0(4) . 99 ?
W2A W2 O7 176.3(3) . . ?
O2W W2 O7 173.6(4) . . ?
O8 W2 O7 75.0(2) . . ?
O8 W2 O7 75.0(2) 99 . ?
O4 W2 O7 83.7(2) . . ?
O4 W2 O7 83.7(2) 99 . ?
O2W W2A W2 172.8(14) . . ?
O2W W2A O4 130.7(9) . . ?
W2 W2A O4 54.4(2) . . ?
O2W W2A O4 130.7(9) . 99 ?
W2 W2A O4 54.4(2) . 99 ?
O4 W2A O4 67.5(3) . 99 ?
O2W W2A O8 123.2(10) . 99 ?
W2 W2A O8 51.7(2) . 99 ?
O4 W2A O8 69.3(2) . 99 ?
O4 W2A O8 106.0(3) 99 99 ?
O2W W2A O8 123.2(10) . . ?
W2 W2A O8 51.7(2) . . ?
O4 W2A O8 106.0(3) . . ?
O4 W2A O8 69.3(2) 99 . ?
O8 W2A O8 68.9(4) 99 . ?
O2 W3 O2 96.1(4) . 99 ?
O2 W3 O1 97.6(3) . . ?
O2 W3 O1 97.6(3) 99 . ?
O7 Si1 O7 110.5(3) 85_445 2 ?
O7 Si1 O7 107.3(6) 85_445 86_445 ?
O7 Si1 O7 110.5(3) 2 86_445 ?
O7 Si1 O7 110.5(3) 85_445 . ?
O7 Si1 O7 107.3(6) 2 . ?
O7 Si1 O7 110.5(3) 86_445 . ?
W3 O1 La1 118.9(4) . . ?
W3 O2 La2 146.1(4) . . ?
W2A O2W W2 4.5(9) . . ?
W1 O3 La2 160.8(4) . . ?
W1 O4 W2 152.3(4) 85_445 . ?
W1 O4 W2A 155.5(4) 85_445 . ?
W2 O4 W2A 26.63(13) . . ?
W1 O5 W1 148.8(5) . 100 ?
W1 O6 W1 119.5(4) . 99 ?
Si1 O7 W1 124.7(3) . 99 ?
Si1 O7 W1 124.7(3) . . ?
W1 O7 W1 93.9(3) 99 . ?
Si1 O7 W2 123.8(4) . . ?
W1 O7 W2 89.9(2) 99 . ?
W1 O7 W2 89.9(2) . . ?
W1 O8 W2 118.5(4) 99 . ?
W1 O8 W2A 144.3(4) 99 . ?
W2 O8 W2A 25.85(12) . . ?
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
La1 O1 2.718(9) . ?
La1 O1 2.718(9) 105 ?
La1 O1 2.718(9) 9 ?
La1 O1 2.718(9) 97 ?
La1 O1 2.718(9) 101 ?
La1 O1 2.718(9) 5 ?
La1 O1 2.718(9) 106 ?
La1 O1 2.718(9) 6 ?
La1 O1 2.718(9) 102 ?
La1 O1 2.718(9) 2 ?
La1 O1 2.718(9) 98 ?
La1 O1 2.718(9) 10 ?
La2 O2 2.415(6) 9 ?
La2 O2 2.415(6) 5 ?
La2 O2 2.415(6) . ?
La2 O3 2.583(7) 9 ?
La2 O3 2.583(7) 5 ?
La2 O3 2.583(7) . ?
La2 O3W 2.636(10) 9 ?
La2 O3W 2.636(10) 5 ?
La2 O3W 2.636(10) . ?
W1 O3 1.715(8) . ?
W1 O4 1.860(6) 85_445 ?
W1 O8 1.918(7) 99 ?
W1 O5 1.926(2) . ?
W1 O6 1.956(4) . ?
W1 O7 2.312(5) . ?
W2 W2A 1.073(4) . ?
W2 O2W 1.703(4) . ?
W2 O8 1.930(7) . ?
W2 O8 1.930(7) 99 ?
W2 O4 1.945(7) . ?
W2 O4 1.945(7) 99 ?
W2 O7 2.370(9) . ?
W2A O2W 0.633(4) . ?
W2A O4 2.364(7) . ?
W2A O4 2.364(7) 99 ?
W2A O8 2.403(8) 99 ?
W2A O8 2.403(8) . ?
W3 O2 1.780(6) . ?
W3 O2 1.780(6) 99 ?
W3 O1 1.813(9) . ?
Si1 O7 1.629(8) 85_445 ?
Si1 O7 1.629(8) 2 ?
Si1 O7 1.629(8) 86_445 ?
Si1 O7 1.629(8) . ?
O1W O1W 1.295(19) 99 ?
O4 W1 1.860(6) 85_445 ?
O5 W1 1.926(2) 100 ?
O6 W1 1.956(4) 99 ?
O7 W1 2.312(5) 99 ?
O8 W1 1.917(7) 99 ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.157 -0.002 0.153 21382.9 794.5
