#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000054.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_9000054
loop_
_publ_author_name
'Qurashi, M. M.'
'Barnes, W. H.'
_publ_section_title
;
 The structure of pucherite, BiVO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              489
_journal_page_last               500
_journal_volume                  38
_journal_year                    1953
_chemical_formula_structural     Bi(VO4)
_chemical_formula_sum            'Bi O4 V'
_chemical_name_mineral           Pucherite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2a 2n'
_symmetry_space_group_name_H-M   'P n c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.332
_cell_length_b                   5.060
_cell_length_c                   12.020
_cell_formula_units_Z            4
_cell_volume                     324.299
_database_code_amcsd             0000057
_exptl_crystal_density_diffrn    6.634
_cod_original_formula_sum        'Bi V O4'
_cod_database_code               9000054
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,y,-z
1/2-x,-y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi 0.25000 0.00000 0.10970 0.01646
V 0.25000 0.00000 0.39380 0.01646
O1 -0.05250 -0.22920 0.03160 0.01646
O2 -0.03000 0.34980 0.19550 0.01646
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000057
