#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/64/1526438.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_1526438
loop_
_publ_author_name
'Isasi, J.'
_publ_section_title
;
 New M M' O4 oxides derived from the rutile type: synthesis, structure and
 study of magnetic and electronic properties
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              89
_journal_page_last               96
_journal_volume                  322
_journal_year                    2001
_chemical_formula_sum            'Ni1.5 O4 V'
_chemical_name_systematic        'Ni1.5 (V O4)'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.933
_cell_length_b                   11.385
_cell_length_c                   8.239
_cell_volume                     556.521
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Isasi_JALCEU_2001_1297.cif
_cod_data_source_block           Ni1.5O4V1
_cod_original_cell_volume        556.5215
_cod_original_formula_sum        'Ni1.5 O4 V1'
_cod_database_code               1526438
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x,-y+1/2,z-1/2
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+5 0 0.376 0.12 1 0.0
O2 O-2 0 0.001 0.241 1 0.0
Ni2 Ni+2 0.25 0.131 0.25 1 0.0
O3 O-2 0.263 0.121 0.005 1 0.0
O1 O-2 0 0.249 0.233 1 0.0
Ni1 Ni+2 0 0 0 1 0.0
