#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007606.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_9007606
loop_
_publ_author_name
'Calvo, C.'
'Faggiani, R.'
_publ_section_title
;
 Alpha cupric divanadate
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              603
_journal_page_last               605
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cu2 O7 V2'
_chemical_name_mineral           Blossite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.645
_cell_length_b                   8.383
_cell_length_c                   6.442
_cell_volume                     1114.898
_exptl_crystal_density_diffrn    4.063
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_9044'
_[local]_cod_chemical_formula_sum_orig 'Cu2 V2 O7'
_cod_database_code               9007606
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
1/4+x,1/4-y,1/4+z
1/4+x,3/4-y,3/4+z
3/4+x,1/4-y,3/4+z
3/4+x,3/4-y,1/4+z
1/4-x,1/4+y,1/4+z
1/4-x,3/4+y,3/4+z
3/4-x,1/4+y,3/4+z
3/4-x,3/4+y,1/4+z
-x,1/2-y,1/2+z
-x,-y,+z
1/2-x,1/2-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
Cu 0.16580 0.36460 0.75000 0.01600
V 0.19906 0.40540 0.23430 0.00500
O1 0.24530 0.56220 0.27740 0.02100
O2 0.14460 0.43680 0.03320 0.01000
O3 0.16190 0.34770 0.45920 0.01300
O4 0.25000 0.25000 0.15920 0.02800