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#$Date: 2015-09-28 14:56:55 +0200 (Mon, 28 Sep 2015) $
#$Revision: 158581 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532629.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_1532629
loop_
_publ_author_name
'Crumpton, T.E.'
'Francesconi, M.G.'
'Greaves, C.'
_publ_section_title
;
 The structural chemistry of Bi14 M O24 (M = Cr, Mo, W) phases: bismuth
 oxides containing discrete M O4 tetrahedra
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              197
_journal_page_last               206
_journal_volume                  175
_journal_year                    2003
_chemical_formula_sum            'Bi14 O24 W'
_chemical_name_systematic        'Bi14 W O24'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 134.4805
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.21
_cell_length_b                   17.3652
_cell_length_c                   8.646
_cell_volume                     1307.970
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Crumpton_JSSCBI_2003_183.cif
_cod_data_source_block           Bi14O24W1
_cod_original_cell_volume        1307.97
_cod_chemical_formula_sum_orig   'Bi14 O24 W1'
_cod_database_code               1532629
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
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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_occupancy
_atom_site_U_iso_or_equiv
O5 O-2 0.6243 0.0772 0.9483 1 0.0
O8 O-2 0.21 0 0.22 0.5 0.0
O1 O-2 0 0.1237 0.5 1 0.0
O9 O-2 0.934 0 0.754 0.5 0.0
Bi5 Bi+3 0.5 0.1588 0 1 0.0
Bi2 Bi+3 0.7874 0 0.2262 1 0.0
O7 O-2 0.981 0.1203 0.995 0.25 0.0
O2 O-2 0.5 0.1235 0.5 1 0.0
O10 O-2 0.916 0.023 0.073 0.25 0.0
O6 O-2 0.6775 0.0757 0.304 1 0.0
O3 O-2 0.2541 0.26 0.3282 1 0.0
Bi1 Bi+3 0.4432 0 0.6572 1 0.0
O4 O-2 0.9266 0.2588 0.1781 1 0.0
Bi4 Bi+3 0.7 0.1698 0.8046 1 0.0
Bi3 Bi+3 0.106 0.1691 0.4058 1 0.0
W1 W+6 0 0.0183 0 0.5 0.0