#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/81/1008105.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_1008105
loop_
_publ_author_name
'Pernet, M'
'Quezel, G'
'Coing-Boyat, J'
'Bertaut, E F'
_publ_section_title
;
Structures magnetiques des chromates de cobalt et de nickel
;
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              264
_journal_page_last               273
_journal_volume                  92
_journal_year                    1969
_chemical_formula_structural     'Ni Cr O4'
_chemical_formula_sum            'Cr Ni O4'
_chemical_name_systematic        'Nickel chromate'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.484
_cell_length_b                   8.22
_cell_length_c                   6.127
_cell_volume                     276.2
_refine_ls_R_factor_all          0.11
_cod_database_code               1008105
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,y,1/2-z
x,-y,1/2+z
-x,-y,-z
-x,y,z
-x,-y,1/2+z
-x,y,1/2-z
1/2+x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2+x,1/2-y,1/2+z
1/2-x,1/2-y,-z
1/2-x,1/2+y,z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ni1 Ni3+ 4 a 0. 0. 0. 1. 0 d
Cr1 Cr5+ 4 c 0. 0.350(5) 0.25 1. 0 d
O1 O2- 8 f 0. 0.239(2) 0.036(3) 1. 0 d
O2 O2- 8 g 0.268(5) 0.469(2) 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ni3+ 3.000
Cr5+ 5.000
O2- -2.000
