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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/67/1536748.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_1536748
loop_
_publ_author_name
'Xue Ganglin'
'Vaissermann, J.'
'Gouzerh, P.'
_publ_section_title
;
 Cerium(III) complexes with lacunary polyoxotungstates. Synthesis and
 structural characterization of a novel heteropolyoxotungstate based on
 alpha - (Sb W9 O33)(9-) units
;
_journal_name_full               'Journal of Cluster Science'
_journal_page_first              409
_journal_page_last               421
_journal_volume                  13
_journal_year                    2002
_chemical_formula_sum            'Ce Cl Na7 O65 W10'
_chemical_name_systematic        'Na9 (Ce (W5 O18)2) (Na Cl) (H2 O)30'
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.504
_cell_length_b                   15.245
_cell_length_c                   17.647
_cell_volume                     3094.904
_citation_journal_id_ASTM        JCSCEB
_cod_data_source_file            XueGanglin_JCSCEB_2002_1527.cif
_cod_data_source_block           Ce1Cl1Na7O65W10
_cod_original_formula_sum        'Ce1 Cl1 Na7 O65 W10'
_cod_database_code               1536748
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O24 O-2 -0.223 0.13 0.495 1 0.0
O10 O-2 0.349 0.5 0.812 1 0.0
W2 W+6 0.2019 0.5 0.8031 1 0.0
O9 O-2 -0.248 0.312 0.443 1 0.0
O19 O-2 0.5 0.398 0.668 1 0.0
O2 O-2 0.185 0.5 0.704 1 0.0
O1 O-2 0 0.36 0.706 1 0.0
Ce1 Ce+3 0 0.5 0.6291 1 0.0
O7 O-2 -0.23 0.5 0.444 1 0.0
O16 O-2 0 0.5 0.808 1 0.0
O20 O-2 -0.156 0.107 0.764 1 0.0
O26 O-2 -0.35 0.5 0.595 1 0.0
W3 W+6 0 0.5 0.9401 1 0.0
O17 O-2 0.357 0.269 0.785 1 0.0
O14 O-2 0 0.5 0.224 1 0.0
W1 W+6 0 0.3488 0.8054 1 0.0
O18 O-2 0.5 0.37 0.931 1 0.0
Na1 Na+1 0.5 0.385 0.7967 1 0.0
O22 O-2 0.199 0.5 1.139 1 0.0
W5 W+6 0 0.5 0.3184 1 0.0
O13 O-2 0 0.5 0.447 1 0.0
O8 O-2 -0.13 0.401 0.555 1 0.0
O12 O-2 0 0.5 1.038 1 0.0
O6 O-2 0 0.379 0.919 1 0.0
O25 O-2 0 0.223 0.605 1 0.0
O4 O-2 0 0.327 0.453 1 0.0
O15 O-2 -0.112 0.413 0.339 1 0.0
O23 O-2 0.235 0.232 1.134 1 0.0
O5 O-2 0.168 0.379 0.811 1 0.0
O27 O-2 0 0.163 0.984 1 0.0
Na2 Na+1 0 0 0.771 1 0.0
Cl1 Cl-1 0 0 0.6107 1 0.0
Na3 Na+1 -0.167 0.1277 0.6261 1 0.0
O21 O-2 0 0 0.9 1 0.0
O3 O-2 0 0.235 0.815 1 0.0
O11 O-2 0.164 0.5 0.913 1 0.0
W4 W+6 -0.1428 0.39263 0.4546 1 0.0
