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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/10/73/2107328.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107328
loop_
_publ_author_name
'Rae, A.D.'
'Withers, R.L.'
'Thompson, J.G.'
_publ_section_title
;
 Structure refinement of commensurately modulated bismuth tungstate, Bi2 W
 O6
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              870
_journal_page_last               881
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Bi2 O6 W'
_chemical_name_systematic        'Bi2 (W O6)'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P -2b 2a'
_symmetry_space_group_name_H-M   'P 21 a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4559
_cell_length_b                   5.436
_cell_length_c                   16.4297
_cell_volume                     487.277
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Rae_ASBSDK_1991_1617.cif
_cod_data_source_block           Bi2O6W1
_cod_original_cell_volume        487.2766
_cod_original_sg_symbol_Hall     'P 2c -2ac (z,x,y)'
_cod_original_formula_sum        'Bi2 O6 W1'
_cod_database_code               2107328
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
x+1/2,-y+1/2,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_occupancy
_atom_site_U_iso_or_equiv
O4 O-2 0.2877 0.7614 0.7493 1 0.0
O5 O-2 0.0977 0.0668 0.6087 1 0.0
O6 O-2 0.089 -0.0504 0.3913 1 0.0
Bi2 Bi+3 -0.004 0.5209 0.3277 1 0.0
O1 O-2 0.3542 0.2199 0.4848 1 0.0
O3 O-2 0.2789 0.2385 0.2502 1 0.0
W1 W+6 0.0209 0.0079 0.5 1 0.0
O2 O-2 0.2729 -0.2975 0.5152 1 0.0
Bi1 Bi+3 0.004 0.481 0.6723 1 0.0
