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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/1/52/87/1528731.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_1528731
loop_
_publ_author_name
'McDowell, N.A.'
'Knight, K.S.'
'Lightfoot, P.'
_publ_section_title
;
 Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              1493
_journal_page_last               1499
_journal_volume                  12
_journal_year                    2006
_chemical_formula_sum            'Bi2 O6 W'
_chemical_name_systematic        'Bi2 W O6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.3337
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.37422
_cell_length_b                   3.854296
_cell_length_c                   16.44044
_cell_volume                     518.396
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            McDowell_CEUJED_2006_682.cif
_cod_data_source_block           Bi2O6W1
_cod_original_cell_volume        518.3963
_cod_original_sg_symbol_Hall     '-C 2y (z,y,-x)'
_cod_original_formula_sum        'Bi2 O6 W1'
_cod_database_code               1528731
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
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
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
O6 O-2 0.16278 0.5 0.39502 1 0.0
O4 O-2 0.51046 0.5 0.57523 1 0.0
O1 O-2 0.11857 0 0.24756 1 0.0
Bi1 Bi+3 0.93015 0 0.33459 1 0.0
Bi2 Bi+3 0.39576 0 0.32137 1 0.0
W1 W+6 0.3014 0.5 0.49858 1 0.0
O5 O-2 0.174 0.5 0.56997 1 0.0
O3 O-2 0.3131 0 0.49417 1 0.0
O2 O-2 0.36202 0.5 0.23217 1 0.0
