#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004154.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_9004154
loop_
_publ_author_name
'Szymanski, J. T.'
_publ_section_title
;
 A redetermination of the structure of Sb2VO5, stibivanite, a new mineral
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              333
_journal_page_last               337
_journal_volume                  18
_journal_year                    1980
_chemical_formula_sum            'O5 Sb2 V'
_chemical_name_mineral           Stibivanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.15
_cell_angle_gamma                90
_cell_length_a                   17.989
_cell_length_b                   4.7924
_cell_length_c                   5.500
_cell_volume                     472.244
_exptl_crystal_density_diffrn    5.267
_[local]_cod_chemical_formula_sum_orig 'Sb2 V O5'
_cod_database_code               9004154
_amcsd_database_code             AMCSD#0005137
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-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
Sb 0.01190 0.01730 0.01090 0.00100 -0.00350 -0.00090
V 0.01030 0.02310 0.00780 0.00000 -0.00300 0.00000
O1 0.03350 0.02190 0.01670 0.00000 0.00220 0.00000
O2 0.00990 0.02050 0.00980 -0.00140 -0.00330 0.00050
O3 0.01100 0.02460 0.01320 0.00550 0.00050 0.00310
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb 0.16126 0.72028 0.15140
V 0.00000 0.37157 0.25000
O1 0.00000 0.04120 0.25000
O2 0.07170 0.49560 0.02200
O3 0.20620 0.41420 0.35120