#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012220.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_9012220
loop_
_publ_author_name
'Shklover, V.'
'Haibach, T.'
'Ried, F.'
'Nesper, R.'
'Novak, P.'
_publ_section_title
;
 Crystal structure of the product of Mg2+ insertion into V2O5 single crystals
 Locality: synthetic
 Sample: IIa
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              317
_journal_page_last               323
_journal_volume                  123
_journal_year                    1996
_chemical_formula_sum            'O5 V2'
_chemical_name_mineral           Shcherbinaite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.544
_cell_length_b                   4.383
_cell_length_c                   3.571
_cell_volume                     180.683
_[local]_cod_data_source_file    12076.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'V2 O5'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,-y,1/2+z
-x,y,z
1/2-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
V 0.14870 0.39130 0.00000 0.00750
O1 0.14570 0.03030 0.02950 0.01410
O2 0.31910 0.50270 0.00490 0.00950
O3 0.00000 0.49950 0.00250 0.01270