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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/34/9013436.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_9013436
loop_
_publ_author_name
'Sleight, A. W.'
'Chen, H.-Y.'
'Ferretti, A.'
'Cox, D. E.'
_publ_section_title
;
 Crystal growth and structure of BiVO4
 Locality: synthetic
 Sample: T = 4.5 K
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1571
_journal_page_last               1581
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'Bi O4 V'
_chemical_name_mineral           Clinobisvanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2b'
_symmetry_space_group_name_H-M   'I 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.394
_cell_length_a                   5.2146
_cell_length_b                   5.0842
_cell_length_c                   11.7063
_cell_volume                     310.351
_diffrn_ambient_temperature      4.5
_exptl_crystal_density_diffrn    6.933
_[local]_cod_chemical_formula_sum_orig 'Bi V O4'
_cod_database_code               9013436
_amcsd_database_code             AMCSD#0012587
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-x,1/2-y,z
1/2-x,-y,1/2+z
x,1/2+y,-z
1/2+x,+y,1/2-z
-x,-y,-z
1/2-x,1/2-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
Bi 0.00000 0.25000 0.63630 0.00152
V 0.00000 0.25000 0.13900 0.00253
O1 0.15140 0.50980 0.21030 0.00380
O2 0.26270 0.38060 0.44810 0.00355