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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/17/9011799.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9011799
loop_
_publ_author_name
'Knight, K. S.'
_publ_section_title
;
 The crystal structure of russellite; a re-determination
 using neutron powder diffraction of synthetic Bi2WO6
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              399
_journal_page_last               409
_journal_paper_doi               10.1180/minmag.1992.056.384.13
_journal_volume                  56
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 O6 W'
_chemical_name_mineral           Russellite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.43726
_cell_length_b                   16.43018
_cell_length_c                   5.45842
_cell_formula_units_Z            4
_cell_volume                     487.629
_database_code_amcsd             0014496
_exptl_crystal_density_diffrn    9.505
_cod_original_formula_sum        'Bi2 W O6'
_cod_database_code               9011799
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,-y,z
1/2-x,y,1/2+z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi1 0.52055 0.42238 0.97608 0.00552
Bi2 0.48240 0.07712 0.97956 0.00754
W 0.00706 0.24948 0.00000 0.00201
O1 0.05787 0.14016 0.07680 0.01079
O2 0.25969 0.99942 0.26347 0.00870
O3 0.24029 0.50056 0.25763 0.00503
O4 0.70587 0.23237 0.25069 0.00995
O5 0.21308 0.26392 0.33079 0.01212
O6 0.56157 0.35984 0.56183 0.00873
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014496
