#------------------------------------------------------------------------------
#$Date: 2015-07-14 01:13:00 +0200 (mar 14 de jul de 2015) $
#$Revision: 151560 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/88/1528833.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1528833
loop_
_publ_author_name
'Rozier, P.'
'Dolle, M.'
'Galy, J.'
_publ_section_title
;
 Ionic diffusion mastering using crystal-chemistry parameters: tau-Cu1/2
 Ag1/2 V2 O5 structure determination and comparison with refined
 delta-Ag(x) V2 O5 and epsilon-Cu(x) V2 O5 ones
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1481
_journal_page_last               1491
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Cu0.95 O5 V2'
_chemical_name_systematic        'Cu0.95 V2 O5'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.573
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.765
_cell_length_b                   3.6943
_cell_length_c                   8.9712
_cell_volume                     362.605
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Rozier_JSSCBI_2009_1760.cif
_cod_data_source_block           Cu0.95O5V2
_cod_original_cell_volume        362.6053
_cod_database_code               1528833
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
V1 V+4 0.2802 0.5 0.1636 1 0.0
O4 O-2 0.4402 0.5 0.142 1 0.0
O3 O-2 0.2959 0 0.1134 1 0.0
Cu1 Cu+1 0.5 0.5 0.5 0.99 0.0
O2 O-2 0.3219 0.5 0.3655 1 0.0
Cu2 Cu+1 0.5 0.25 0.5 0.44 0.0
V2 V+4 0.4824 0 0.1685 1 0.0
O5 O-2 0.5449 0 0.3663 1 0.0
O1 O-2 0.1074 0.5 0.1096 1 0.0
