#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9011234.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_9011234
loop_
_publ_author_name
'Bedlivy, D.'
'Mereiter, K.'
_publ_section_title
;
 Structure of alpha-BiAsO4 (rooseveltite)
 Locality: synthetic
 Note: AnisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1559
_journal_page_last               1561
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'As Bi O4'
_chemical_name_mineral           Rooseveltite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.84
_cell_angle_gamma                90
_cell_length_a                   6.879
_cell_length_b                   7.159
_cell_length_c                   6.732
_cell_volume                     320.471
_exptl_crystal_density_diffrn    7.211
_[local]_cod_chemical_formula_sum_orig 'Bi As O4'
_cod_database_code               9011234
_amcsd_database_code             AMCSD#0009576
loop_
_symmetry_equiv_pos_as_xyz
x,y,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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Bi 0.01330 0.01160 0.01080 0.00180 0.00430 -0.00090
As 0.00680 0.00730 0.00560 -0.00040 0.00140 0.00010
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi 0.28164 0.13373 0.08411 0.01191
As 0.29886 0.16251 0.61232 0.00659
O1 0.26180 0.00110 0.42790 0.01140
O2 0.38700 0.35360 0.51910 0.01393
O3 0.47310 0.10250 0.83180 0.01140
O4 0.10900 0.20740 0.71990 0.01393