#------------------------------------------------------------------------------
#$Date: 2015-07-14 01:08:29 +0200 (mar 14 de jul de 2015) $
#$Revision: 151530 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/88/1528818.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_1528818
loop_
_publ_author_name
'Rea, J.R.'
'Kostiner, E.'
_publ_section_title
;
 The crystal structure of alpha-copper vanadate
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              17
_journal_page_last               24
_journal_volume                  7
_journal_year                    1973
_chemical_formula_sum            'Cu6.78 O18.78 V6'
_chemical_name_systematic        'Cu6.78 V6 O18.78'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.857
_cell_length_b                   12.857
_cell_length_c                   7.161
_cell_volume                     1025.141
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Rea_JSSCBI_1973_1773.cif
_cod_data_source_block           Cu6.78O18.78V6
_cod_database_code               1528818
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
O1 O-2 0.2634 0.0337 0.187 0.9878 0.0
O2 O-2 0.8761 0.983 0.1898 0.9878 0.0
O3 O-2 0.8525 0.0895 0.4972 0.9878 0.0
Cu2 Cu+2 0.42953 0.05492 0.2363 1 0.0
V1 V+4 0.153 0.0176 0.3282 1 0.0
O4 O-2 0 0 0.5 1 0.0
Cu1 Cu+2 0 0 0 0.78 0.0
