#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/22/4002256.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_4002256
loop_
_publ_author_name
'Monge, M.A.'
'Gutierrez-Puebla, E.'
'Martinez, J.L.'
'Campa, J.A.'
'Rasines, I.'
_publ_section_title
;
 Cation distribution in lithium nickel oxide crystals
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2001
_journal_page_last               2007
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Li0.275 Ni0.725 O'
_chemical_name_systematic        '(Li0.275 Ni0.725) O'
_space_group_IT_number           146
_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            24
_cell_length_a                   6.02
_cell_length_b                   6.02
_cell_length_c                   14.726
_cell_volume                     462.177
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Monge_CMATEX_2000_1028.cif
_cod_data_source_block           Li0.275Ni0.725O1
_cod_original_cell_volume        462.1771
_cod_original_formula_sum        'Li0.275 Ni0.725 O1'
_cod_database_code               4002256
loop_
_symmetry_equiv_pos_as_xyz
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+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
Li1 Li+1 0.8273 0.6671 0.5531 0.48 0.0
Ni3 Ni+2 0.8273 0.6671 0.5531 0.52 0.0
O1 O-2 0.6667 0.3333 0.4758 1 0.0
Ni4 Ni+2 0 0 0.3997 0.24 0.0
O3 O-2 0.3333 0.6667 0.3147 1 0.0
O2 O-2 0.1628 0.3319 0.4737 1 0.0
Ni1 Ni+2 0.6667 0.3333 0.2279 1 0.0
Li2 Li+1 0 0 0.3997 0.76 0.0
O4 O-2 0.353 0.1791 0.3171 1 0.0
Ni2 Ni+2 0.4982 0.4984 0.3993 1 0.0
