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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/75/9007585.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_9007585
loop_
_publ_author_name
'Mercurio-Lavaud D'
'Frit, B.'
_publ_section_title
;
 Structure cristalline de la variete basse temperature
 du pyrovanadate de cuivre: Cu2V2O7 alpha
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2737
_journal_page_last               2741
_journal_paper_doi               10.1107/S0567740873007478
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_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                   20.680
_cell_length_b                   8.411
_cell_length_c                   6.448
_cell_volume                     1121.562
_database_code_amcsd             0009498
_exptl_crystal_density_diffrn    4.039
_cod_original_formula_sum        'Cu2 V2 O7'
_cod_database_code               9007585
loop_
_space_group_symop_operation_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 0.16600 0.36400 0.75000 0.01482
V 0.19900 0.40500 0.23400 0.00937
O1 0.25000 0.25000 0.15200 0.03268
O2 0.24400 0.56000 0.27900 0.02394
O3 0.14400 0.43800 0.02800 0.01305
O4 0.16200 0.33900 0.46100 0.02406