#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:45:21 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/21/7042145.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_7042145
loop_
_publ_author_name
'Peng, Qingpo'
'Li, Shujun'
'Wang, Ruoya'
'Liu, Shuxia'
'Xie, Linhua'
'Zhai, Jianxin'
'Zhang, Jie'
'Zhao, Qianyi'
'Chen, Xuenian'
_publ_section_title
;
 Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting
 materials.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4157
_journal_page_last               4160
_journal_paper_doi               10.1039/c7dt00091j
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'Ce3 H76 O100 P2 Ta3 W15'
_chemical_formula_weight         5459.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-02-11 deposited with the CCDC.
2017-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.723(12)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.372(15)
_cell_length_b                   19.14(2)
_cell_length_c                   16.770(18)
_cell_measurement_reflns_used    7358
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.370
_cell_measurement_theta_min      2.513
_cell_volume                     4369(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    Diamond
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean '100x100 microns'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34428
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.099
_diffrn_reflns_theta_max         25.099
_diffrn_reflns_theta_min         1.496
_exptl_absorpt_coefficient_mu    25.091
_exptl_absorpt_correction_T_max  0.4335
_exptl_absorpt_correction_T_min  0.0346
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS 2016/2 (Bruker, 2016) was used for absorption correction. R(int) was 0.1134 before and 0.0765 after correction. The Ratio of minimum to maximum transmission is 0.0798. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.151
_exptl_crystal_description       plate
_exptl_crystal_F_000             4818
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.040
_refine_diff_density_max         3.461
_refine_diff_density_min         -2.714
_refine_diff_density_rms         0.715
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         8036
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0413
_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)+(0.0835P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1086
_refine_ls_wR_factor_ref         0.1388
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6091
_reflns_number_total             8036
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00091j2.cif
_cod_data_source_block           111111
_cod_depositor_comments
'Adding full bibliography for 7042142--7042145.cif.'
_cod_original_cell_volume        4368(8)
_cod_database_code               7042145
_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   0.035
_shelx_estimated_absorpt_t_max   0.434
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Ce1 Ce 0.19718(7) 0.48903(5) 0.70484(7) 0.0343(2) Uani 1 1 d . . .
Ce2 Ce -0.29985(10) 0.7500 0.80533(10) 0.0350(3) Uani 1 2 d S T P
O1 O 0.1865(8) 0.5990(6) 0.7672(8) 0.036(3) Uani 1 1 d . U .
O2 O 0.2589(8) 0.5696(6) 1.3313(8) 0.034(3) Uani 1 1 d . . .
O3 O 0.4728(8) 0.5989(6) 1.2509(7) 0.031(3) Uani 1 1 d . . .
O4 O 0.4648(8) 0.6803(6) 1.5330(8) 0.037(3) Uani 1 1 d . U .
O5 O 0.5212(8) 0.6715(6) 1.1370(7) 0.030(3) Uani 1 1 d . . .
O6 O 0.1756(10) 0.7500 0.9491(9) 0.022(3) Uani 1 2 d S TU P
O7 O 0.6409(10) 0.7500 1.2623(10) 0.029(4) Uani 1 2 d S T P
O8 O 0.0071(8) 0.6802(6) 0.9780(7) 0.030(3) Uani 1 1 d . . .
O9 O 0.0470(8) 0.6768(6) 0.8264(7) 0.027(2) Uani 1 1 d . . .
O10 O -0.1268(11) 0.7500 0.8314(11) 0.035(4) Uani 1 2 d S T P
O11 O 0.3324(8) 0.6631(6) 0.9182(7) 0.034(3) Uani 1 1 d . . .
O12 O 0.3445(10) 0.7500 1.0569(10) 0.026(3) Uani 1 2 d S T P
O13 O 0.1045(8) 0.5678(6) 1.0672(7) 0.031(3) Uani 1 1 d . . .
O14 O 0.2867(8) 0.5616(6) 1.1780(7) 0.032(3) Uani 1 1 d . . .
O15 O -0.0640(8) 0.6215(7) 1.0950(8) 0.040(3) Uani 1 1 d . . .
O16 O 0.1208(8) 0.6394(6) 1.2092(7) 0.030(3) Uani 1 1 d . . .
O17 O 0.0400(11) 0.7500 1.1202(9) 0.029(4) Uani 1 2 d S T P
O18 O 0.3992(9) 0.4770(6) 1.3044(8) 0.042(3) Uani 1 1 d . . .
O19 O 0.0948(9) 0.6230(7) 1.3644(8) 0.042(3) Uani 1 1 d . . .
O20 O 0.4525(7) 0.5991(6) 1.3987(7) 0.029(3) Uani 1 1 d . . .
O21 O 0.2778(8) 0.6822(6) 1.4317(7) 0.033(3) Uani 1 1 d . . .
O22 O 0.1507(12) 0.7500 1.3087(10) 0.037(4) Uani 1 2 d S T P
O23 O 0.6012(8) 0.6674(6) 1.3751(7) 0.028(2) Uani 1 1 d . . .
O24 O 0.2041(11) 0.7500 0.7964(10) 0.033(4) Uani 1 2 d S T P
O25 O 0.1870(8) 0.5954(6) 0.9449(7) 0.031(3) Uani 1 1 d . . .
O26 O 0.4866(10) 0.7500 0.9967(11) 0.035(4) Uani 1 2 d S T P
O27 O 0.5144(8) 0.6051(7) 0.9906(8) 0.045(3) Uani 1 1 d . . .
O28 O 0.3621(8) 0.5993(6) 1.0620(7) 0.030(3) Uani 1 1 d . . .
O29 O 0.2034(7) 0.6847(5) 1.0852(7) 0.025(2) Uani 1 1 d . . .
O30 O 0.3177(7) 0.6836(5) 1.2765(7) 0.025(2) Uani 1 1 d . . .
O31 O 0.4398(10) 0.7500 1.3956(10) 0.027(3) Uani 1 2 d S TU P
O32 O 0.3248(13) 0.7500 1.5900(11) 0.047(5) Uani 1 2 d S T P
O33 O 0.6117(10) 0.7500 1.5037(11) 0.030(4) Uani 1 2 d S T P
O34 O 0.6351(9) 0.6048(6) 1.5314(8) 0.039(3) Uani 1 1 d . . .
O35 O 0.6699(8) 0.6063(6) 1.2577(7) 0.035(3) Uani 1 1 d . . .
O36 O 0.4599(10) 0.7500 1.2531(10) 0.026(3) Uani 1 2 d S T P
O37 O 0.2411(9) 0.4767(6) 1.0393(8) 0.040(3) Uani 1 1 d . . .
O10W O -0.26242(2) 0.7500 0.66542(2) 0.044(5) Uani 1 2 d S T P
H10A H -0.2005 0.7500 0.6758 0.066 Uiso 1 2 d R U P
H10B H -0.2869 0.7863 0.6372 0.066 Uiso 0.5 1 d R U P
O11W O -0.43606(2) 0.6736 0.70660(2) 0.074(5) Uani 1 1 d R . .
H11A H -0.4845 0.6998 0.6820 0.110 Uiso 1 1 d R U .
H11B H -0.4542 0.6424 0.7345 0.110 Uiso 1 1 d R U .
O12W O -0.42813(2) 0.7200 0.85940(2) 0.106(12) Uani 0.5 1 d R U P
O1W O -0.25740(2) 0.6793 0.93920(2) 0.157(12) Uani 1 1 d R . .
H1WA H -0.2106 0.6517 0.9405 0.235 Uiso 1 1 d R U .
H1WB H -0.3069 0.6557 0.9407 0.235 Uiso 1 1 d R U .
O2W O -0.24339(2) 0.6222 0.78670(2) 0.092(6) Uani 1 1 d R . .
H2WA H -0.2259 0.6013 0.8340 0.138 Uiso 1 1 d R U .
H2WB H -0.1950 0.6243 0.7681 0.138 Uiso 1 1 d R U .
O3W O 0.11933(2) 0.3680 0.68632(2) 0.072(5) Uani 1 1 d R U .
H3WA H 0.1520 0.3415 0.7261 0.107 Uiso 1 1 d R U .
H3WB H 0.1194 0.3510 0.6395 0.107 Uiso 1 1 d R U .
O4W O 0.02888(2) 0.4999 0.59551(2) 0.100(7) Uani 1 1 d R . .
H4WA H 0.0194 0.4659 0.5611 0.149 Uiso 1 1 d R U .
H4WB H 0.0257 0.5381 0.5691 0.149 Uiso 1 1 d R U .
O5W O 0.06122(2) 0.4792 0.77311(2) 0.084(6) Uani 1 1 d R . .
H5WA H 0.0100 0.5006 0.7433 0.126 Uiso 1 1 d R U .
H5WB H 0.0818 0.4976 0.8218 0.126 Uiso 1 1 d R U .
O6W O 0.27710(2) 0.4667 0.86378(2) 0.102(6) Uani 1 1 d R U .
H6WA H 0.3004 0.5052 0.8871 0.153 Uiso 1 1 d R U .
H6WB H 0.3231 0.4369 0.8723 0.153 Uiso 1 1 d R U .
O7W O 0.36332(2) 0.5403 0.71458(2) 0.084(5) Uani 1 1 d R . .
H7WA H 0.3613 0.5561 0.6667 0.126 Uiso 1 1 d R U .
H7WB H 0.4069 0.5086 0.7297 0.126 Uiso 1 1 d R U .
O8W O 0.21814(2) 0.4286 0.57290(2) 0.060(4) Uani 1 1 d R . .
H8WA H 0.2770 0.4336 0.5733 0.090 Uiso 1 1 d R U .
H8WB H 0.1793 0.4477 0.5290 0.090 Uiso 1 1 d R U .
O9W O 0.18478(2) 0.5805 0.58734(2) 0.084(5) Uani 1 1 d R U .
H9WA H 0.1261 0.5819 0.5540 0.126 Uiso 1 1 d R U .
H9WB H 0.2232 0.5690 0.5602 0.126 Uiso 1 1 d R U .
O13W O 0.71240(2) 0.7500 0.07465(2) 0.098(17) Uani 0.5 2 d R TU P
O14W O 0.82398(2) 0.7500 0.39676(2) 0.19(2) Uani 1 2 d R T P
O15W O 0.13583(2) 0.7241 0.61753(2) 0.107(15) Uani 0.5 1 d R . P
O16W O 0.15325(2) 0.4660 0.40522(2) 0.086(6) Uani 1 1 d R . .
O17W O 0.06038(2) 0.4462 0.14614(2) 0.058(4) Uani 1 1 d R . .
O18W O 0.11269(2) 0.2500 0.78586(2) 0.131(13) Uani 1 2 d R T P
O19W O 0.49697(2) 0.5067 0.86503(2) 0.139(9) Uani 1 1 d R U .
O20W O 0.89599(2) 0.6578 0.66957(2) 0.092(6) Uani 1 1 d R . .
O21W O 0.64063(2) 0.4575 0.45847(2) 0.074(5) Uani 1 1 d R . .
P1 P 0.23358(2) 0.7500 1.04560(2) 0.0236(12) Uani 1 2 d R T P
P2 P 0.38041(2) 0.7500 1.29697(2) 0.0240(12) Uani 1 2 d R T P
Ta2 Ta 0.18742(2) 0.6606 0.84849(2) 0.02837(18) Uani 1 1 d R . .
W9 W 0.36106(2) 0.7500 1.50016(2) 0.0314(2) Uani 1 2 d R T P
W8 W 0.55066(2) 0.6601 1.46571(2) 0.02818(18) Uani 1 1 d R . .
W1 W 0.57368(2) 0.6624 1.25099(2) 0.02627(17) Uani 1 1 d R . .
W2 W 0.04572(2) 0.6540 1.08988(2) 0.02835(18) Uani 1 1 d R . .
W3 W 0.36895(2) 0.5645 1.28960(2) 0.02915(18) Uani 1 1 d R . .
W4 W 0.23294(2) 0.5655 1.05462(2) 0.02854(18) Uani 1 1 d R . .
Ta1 Ta 0.00130(2) 0.7500 0.88598(2) 0.0264(2) Uani 1 2 d R T P
W6 W 0.18313(2) 0.6532 1.32354(2) 0.03177(19) Uani 1 1 d R . .
W7 W 0.43529(2) 0.6613 1.01680(2) 0.02973(18) Uani 1 1 d R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ta Ta -0.7052 6.5227 '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'
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
O1 Ce1 O4W 93.7(3) . .
O1 Ce1 O7W 79.7(3) . .
O4W Ce1 O7W 132.5 . .
O1 Ce1 O3W 140.4(3) . .
O4W Ce1 O3W 72.9 . .
O7W Ce1 O3W 136.6 . .
O1 Ce1 O35 132.0(4) . 3_667
O4W Ce1 O35 134.2(3) . 3_667
O7W Ce1 O35 69.4(3) . 3_667
O3W Ce1 O35 69.3(3) . 3_667
O1 Ce1 O5W 72.7(3) . .
O4W Ce1 O5W 69.0 . .
O7W Ce1 O5W 146.5 . .
O3W Ce1 O5W 67.7 . .
O35 Ce1 O5W 116.8(3) 3_667 .
O1 Ce1 O6W 76.2(3) . .
O4W Ce1 O6W 140.1 . .
O7W Ce1 O6W 84.2 . .
O3W Ce1 O6W 90.4 . .
O35 Ce1 O6W 65.2(3) 3_667 .
O5W Ce1 O6W 71.2 . .
O1 Ce1 O8W 144.1(3) . .
O4W Ce1 O8W 76.4 . .
O7W Ce1 O8W 82.1 . .
O3W Ce1 O8W 70.0 . .
O35 Ce1 O8W 67.1(3) 3_667 .
O5W Ce1 O8W 131.3 . .
O6W Ce1 O8W 132.2 . .
O1 Ce1 O9W 74.9(3) . .
O4W Ce1 O9W 65.1 . .
O7W Ce1 O9W 67.8 . .
O3W Ce1 O9W 126.8 . .
O35 Ce1 O9W 121.9(3) 3_667 .
O5W Ce1 O9W 120.7 . .
O6W Ce1 O9W 142.7 . .
O8W Ce1 O9W 69.7 . .
O12W Ce2 O12W 28.0 . 4_575
O12W Ce2 O10 145.4(4) . .
O12W Ce2 O10 145.4(4) 4_575 .
O12W Ce2 O1W 77.6 . 4_575
O12W Ce2 O1W 61.7 4_575 4_575
O10 Ce2 O1W 84.1(4) . 4_575
O12W Ce2 O1W 61.7 . .
O12W Ce2 O1W 77.6 4_575 .
O10 Ce2 O1W 84.1(4) . .
O1W Ce2 O1W 64.9 4_575 .
O12W Ce2 O10W 139.94(6) . .
O12W Ce2 O10W 139.94(6) 4_575 .
O10 Ce2 O10W 69.9(4) . .
O1W Ce2 O10W 138.65(6) 4_575 .
O1W Ce2 O10W 138.65(6) . .
O12W Ce2 O11W 65.5 . .
O12W Ce2 O11W 81.9 4_575 .
O10 Ce2 O11W 130.6(3) . .
O1W Ce2 O11W 142.52(7) 4_575 .
O1W Ce2 O11W 100.6 . .
O10W Ce2 O11W 75.62(7) . .
O12W Ce2 O11W 81.9 . 4_575
O12W Ce2 O11W 65.5 4_575 4_575
O10 Ce2 O11W 130.6(3) . 4_575
O1W Ce2 O11W 100.6 4_575 4_575
O1W Ce2 O11W 142.52(7) . 4_575
O10W Ce2 O11W 75.62(7) . 4_575
O11W Ce2 O11W 69.2 . 4_575
O12W Ce2 O2W 125.3 . 4_575
O12W Ce2 O2W 97.4 4_575 4_575
O10 Ce2 O2W 71.21(9) . 4_575
O1W Ce2 O2W 67.1 4_575 4_575
O1W Ce2 O2W 127.56(6) . 4_575
O10W Ce2 O2W 74.24(4) . 4_575
O11W Ce2 O2W 130.71(7) . 4_575
O11W Ce2 O2W 66.1 4_575 4_575
O12W Ce2 O2W 97.4 . .
O12W Ce2 O2W 125.3 4_575 .
O10 Ce2 O2W 71.21(9) . .
O1W Ce2 O2W 127.56(6) 4_575 .
O1W Ce2 O2W 67.1 . .
O10W Ce2 O2W 74.24(4) . .
O11W Ce2 O2W 66.1 . .
O11W Ce2 O2W 130.71(7) 4_575 .
O2W Ce2 O2W 137.21(8) 4_575 .
Ta2 O1 Ce1 158.1(7) . .
W6 O2 W3 122.2(5) . .
W1 O3 W3 153.7(7) . .
W9 O4 W8 122.7(6) . .
W1 O5 W7 163.2(7) . .
P1 O6 Ta1 126.4(8) . .
P1 O6 Ta2 125.6(4) . .
Ta1 O6 Ta2 89.4(4) . .
P1 O6 Ta2 125.6(4) . 4_575
Ta1 O6 Ta2 89.4(4) . 4_575
Ta2 O6 Ta2 88.8(5) . 4_575
W1 O7 W1 122.3(7) 4_575 .
W2 O8 Ta1 151.5(6) . .
Ta1 O9 Ta2 120.9(5) . .
Ta1 O10 Ce2 160.8(10) . .
W7 O11 Ta2 154.0(7) . .
P1 O12 W7 127.4(4) . 4_575
P1 O12 W7 127.4(4) . .
W7 O12 W7 91.7(5) 4_575 .
W4 O13 W2 122.2(6) . .
W3 O14 W4 164.5(6) . .
W6 O16 W2 163.1(7) . .
W2 O17 W2 147.3(9) . 4_575
W8 O20 W3 151.6(6) . .
W9 O21 W6 150.8(7) . .
W6 O22 W6 152.5(9) . 4_575
W8 O23 W1 147.0(6) . .
Ta2 O24 Ta2 120.5(9) . 4_575
W4 O25 Ta2 153.2(6) . .
W7 O26 W7 123.9(8) 4_575 .
W7 O28 W4 145.9(6) . .
P1 O29 W2 128.3(6) . .
P1 O29 W4 125.7(6) . .
W2 O29 W4 90.5(3) . .
P2 O30 W3 129.1(5) . .
P2 O30 W6 127.6(6) . .
W3 O30 W6 89.8(3) . .
P2 O31 W9 122.8(8) . .
P2 O31 W8 124.1(5) . 4_575
W9 O31 W8 92.1(5) . 4_575
P2 O31 W8 124.1(5) . .
W9 O31 W8 92.1(5) . .
W8 O31 W8 92.4(5) 4_575 .
W8 O33 W8 124.6(7) 4_575 .
W1 O35 Ce1 167.2(7) . 3_667
P2 O36 W1 129.2(4) . 4_575
P2 O36 W1 129.2(4) . .
W1 O36 W1 91.0(5) 4_575 .
O12W O12W Ce2 76.0 4_575 .
O29 P1 O29 108.4(8) . 4_575
O29 P1 O12 111.7(5) . .
O29 P1 O12 111.7(5) 4_575 .
O29 P1 O6 108.4(5) . .
O29 P1 O6 108.4(5) 4_575 .
O12 P1 O6 108.2(8) . .
O30 P2 O30 112.1(7) . 4_575
O30 P2 O36 111.4(5) . .
O30 P2 O36 111.4(5) 4_575 .
O30 P2 O31 108.2(5) . .
O30 P2 O31 108.2(5) 4_575 .
O36 P2 O31 105.2(8) . .
O1 Ta2 O9 101.8(5) . .
O1 Ta2 O24 101.9(6) . .
O9 Ta2 O24 92.5(5) . .
O1 Ta2 O11 102.0(5) . .
O9 Ta2 O11 155.3(5) . .
O24 Ta2 O11 89.2(6) . .
O1 Ta2 O25 101.5(5) . .
O9 Ta2 O25 89.0(4) . .
O24 Ta2 O25 155.8(5) . .
O11 Ta2 O25 79.8(4) . .
O1 Ta2 O6 174.5(5) . .
O9 Ta2 O6 74.0(4) . .
O24 Ta2 O6 75.1(5) . .
O11 Ta2 O6 82.7(5) . .
O25 Ta2 O6 82.1(4) . .
O32 W9 O21 102.6(6) . .
O32 W9 O21 102.6(5) . 4_575
O21 W9 O21 87.0(7) . 4_575
O32 W9 O4 99.8(6) . .
O21 W9 O4 88.8(5) . .
O21 W9 O4 157.6(5) 4_575 .
O32 W9 O4 99.8(6) . 4_575
O21 W9 O4 157.6(5) . 4_575
O21 W9 O4 88.8(5) 4_575 4_575
O4 W9 O4 86.7(7) . 4_575
O32 W9 O31 169.6(7) . .
O21 W9 O31 84.8(5) . .
O21 W9 O31 84.8(5) 4_575 .
O4 W9 O31 72.8(5) . .
O4 W9 O31 72.8(5) 4_575 .
O34 W8 O23 100.8(5) . .
O34 W8 O20 103.8(5) . .
O23 W8 O20 88.5(5) . .
O34 W8 O33 100.6(6) . .
O23 W8 O33 87.0(6) . .
O20 W8 O33 155.6(5) . .
O34 W8 O4 101.4(6) . .
O23 W8 O4 157.6(5) . .
O20 W8 O4 88.7(5) . .
O33 W8 O4 86.4(6) . .
O34 W8 O31 169.9(5) . .
O23 W8 O31 85.3(5) . .
O20 W8 O31 84.3(4) . .
O33 W8 O31 71.5(5) . .
O4 W8 O31 72.3(5) . .
O35 W1 O5 100.4(5) . .
O35 W1 O3 101.5(5) . .
O5 W1 O3 90.1(5) . .
O35 W1 O7 99.7(5) . .
O5 W1 O7 92.6(6) . .
O3 W1 O7 157.7(5) . .
O35 W1 O23 94.4(5) . .
O5 W1 O23 165.2(5) . .
O3 W1 O23 85.8(5) . .
O7 W1 O23 86.0(6) . .
O35 W1 O36 171.8(5) . .
O5 W1 O36 83.8(5) . .
O3 W1 O36 85.5(4) . .
O7 W1 O36 72.9(4) . .
O23 W1 O36 81.7(5) . .
O15 W2 O8 99.6(5) . .
O15 W2 O17 102.4(6) . .
O8 W2 O17 89.2(5) . .
O15 W2 O13 99.5(5) . .
O8 W2 O13 92.2(5) . .
O17 W2 O13 157.5(6) . .
O15 W2 O16 96.3(5) . .
O8 W2 O16 163.9(5) . .
O17 W2 O16 85.6(5) . .
O13 W2 O16 87.0(5) . .
O15 W2 O29 173.1(5) . .
O8 W2 O29 83.0(4) . .
O17 W2 O29 83.9(5) . .
O13 W2 O29 73.9(4) . .
O16 W2 O29 81.4(4) . .
O18 W3 O14 99.4(5) . .
O18 W3 O2 101.2(5) . .
O14 W3 O2 92.1(5) . .
O18 W3 O3 101.1(5) . .
O14 W3 O3 89.0(5) . .
O2 W3 O3 157.1(5) . .
O18 W3 O20 98.2(5) . .
O14 W3 O20 161.9(5) . .
O2 W3 O20 88.4(5) . .
O3 W3 O20 83.7(5) . .
O18 W3 O30 174.9(5) . .
O14 W3 O30 81.9(4) . .
O2 W3 O30 73.7(4) . .
O3 W3 O30 83.8(4) . .
O20 W3 O30 80.9(4) . .
O37 W4 O25 100.2(5) . .
O37 W4 O13 98.8(5) . .
O25 W4 O13 93.1(5) . .
O37 W4 O28 103.3(5) . .
O25 W4 O28 89.4(5) . .
O13 W4 O28 157.0(5) . .
O37 W4 O14 95.6(5) . .
O25 W4 O14 163.9(5) . .
O13 W4 O14 87.2(5) . .
O28 W4 O14 84.3(4) . .
O37 W4 O29 171.6(5) . .
O25 W4 O29 83.5(4) . .
O13 W4 O29 73.4(4) . .
O28 W4 O29 84.2(4) . .
O14 W4 O29 81.2(4) . .
O10 Ta1 O9 101.5(5) . 4_575
O10 Ta1 O9 101.5(5) . .
O9 Ta1 O9 91.6(6) 4_575 .
O10 Ta1 O8 100.1(5) . 4_575
O9 Ta1 O8 88.8(5) 4_575 4_575
O9 Ta1 O8 157.8(4) . 4_575
O10 Ta1 O8 100.1(5) . .
O9 Ta1 O8 157.8(4) 4_575 .
O9 Ta1 O8 88.8(5) . .
O8 Ta1 O8 82.7(6) 4_575 .
O10 Ta1 O6 175.6(7) . .
O9 Ta1 O6 75.5(4) 4_575 .
O9 Ta1 O6 75.5(4) . .
O8 Ta1 O6 83.2(4) 4_575 .
O8 Ta1 O6 83.2(4) . .
O19 W6 O16 101.0(6) . .
O19 W6 O22 101.3(7) . .
O16 W6 O22 89.2(6) . .
O19 W6 O2 99.7(5) . .
O16 W6 O2 91.6(5) . .
O22 W6 O2 158.4(6) . .
O19 W6 O21 96.2(6) . .
O16 W6 O21 162.7(5) . .
O22 W6 O21 85.0(6) . .
O2 W6 O21 87.9(5) . .
O19 W6 O30 173.0(5) . .
O16 W6 O30 82.3(4) . .
O22 W6 O30 84.8(6) . .
O2 W6 O30 73.9(4) . .
O21 W6 O30 80.9(4) . .
O27 W7 O11 100.9(6) . .
O27 W7 O28 102.0(6) . .
O11 W7 O28 89.0(5) . .
O27 W7 O26 100.7(6) . .
O11 W7 O26 94.0(6) . .
O28 W7 O26 156.2(6) . .
O27 W7 O5 94.2(5) . .
O11 W7 O5 164.5(5) . .
O28 W7 O5 84.3(5) . .
O26 W7 O5 86.8(6) . .
O27 W7 O12 172.1(5) . .
O11 W7 O12 83.4(5) . .
O28 W7 O12 84.7(4) . .
O26 W7 O12 72.2(5) . .
O5 W7 O12 82.1(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O1 2.377(12) .
Ce1 O4W 2.531(2) .
Ce1 O7W 2.5377 .
Ce1 O3W 2.5478 .
Ce1 O35 2.570(11) 3_667
Ce1 O5W 2.569(2) .
Ce1 O6W 2.577(3) .
Ce1 O8W 2.599(2) .
Ce1 O9W 2.599(2) .
Ce2 O12W 2.371(2) .
Ce2 O12W 2.371(2) 4_575
Ce2 O10 2.383(16) .
Ce2 O1W 2.523(2) 4_575
Ce2 O1W 2.523(2) .
Ce2 O10W 2.570(3) .
Ce2 O11W 2.575(2) .
Ce2 O11W 2.575(2) 4_575
Ce2 O2W 2.6274 4_575
Ce2 O2W 2.6275 .
O1 Ta2 1.798(12) .
O2 W6 1.916(11) .
O2 W3 1.926(12) .
O3 W1 1.892(11) .
O3 W3 1.924(11) .
O4 W9 1.943(12) .
O4 W8 1.959(13) .
O5 W1 1.824(11) .
O5 W7 2.008(11) .
O6 P1 1.565(15) .
O6 Ta1 2.386(14) .
O6 Ta2 2.447(11) .
O6 Ta2 2.447(11) 4_575
O7 W1 1.914(7) 4_575
O7 W1 1.914(7) .
O8 W2 1.847(12) .
O8 Ta1 2.023(12) .
O9 Ta1 1.953(11) .
O9 Ta2 1.956(10) .
O10 Ta1 1.773(15) .
O11 W7 1.831(11) .
O11 Ta2 2.036(11) .
O12 P1 1.544(14) .
O12 W7 2.365(10) 4_575
O12 W7 2.366(10) .
O13 W4 1.924(11) .
O13 W2 1.947(11) .
O14 W3 1.867(11) .
O14 W4 1.964(12) .
O15 W2 1.723(11) .
O16 W6 1.857(11) .
O16 W2 1.964(11) .
O17 W2 1.914(5) .
O17 W2 1.914(5) 4_575
O18 W3 1.728(12) .
O19 W6 1.725(12) .
O20 W8 1.897(11) .
O20 W3 1.953(11) .
O21 W9 1.885(11) .
O21 W6 1.966(11) .
O22 W6 1.907(4) .
O22 W6 1.907(4) 4_575
O23 W8 1.887(11) .
O23 W1 1.993(11) .
O24 Ta2 1.971(9) .
O24 Ta2 1.971(9) 4_575
O25 W4 1.836(12) .
O25 Ta2 2.043(12) .
O26 W7 1.923(7) 4_575
O26 W7 1.923(7) .
O27 W7 1.721(12) .
O28 W7 1.897(11) .
O28 W4 1.933(11) .
O29 P1 1.542(10) .
O29 W2 2.366(10) .
O29 W4 2.406(11) .
O30 P2 1.531(10) .
O30 W3 2.383(11) .
O30 W6 2.383(10) .
O31 P2 1.599(15) .
O31 W9 2.373(16) .
O31 W8 2.383(10) 4_575
O31 W8 2.383(10) .
O32 W9 1.745(18) .
O33 W8 1.943(7) 4_575
O33 W8 1.943(7) .
O34 W8 1.717(11) .
O35 W1 1.725(11) .
O35 Ce1 2.570(11) 3_667
O36 P2 1.544(15) .
O36 W1 2.350(10) 4_575
O36 W1 2.350(10) .
O37 W4 1.728(12) .
O12W O12W 1.1463 4_575
O15W O15W 0.9898 4_575
P1 O29 1.542(10) 4_575
P2 O30 1.532(10) 4_575
W9 O21 1.885(11) 4_575
W9 O4 1.943(12) 4_575
Ta1 O9 1.953(11) 4_575
Ta1 O8 2.023(12) 4_575
