#------------------------------------------------------------------------------
#$Date: 2015-07-12 18:19:07 +0200 (dom 12 de jul de 2015) $
#$Revision: 147423 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/62/1526280.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_1526280
loop_
_publ_author_name
'Pouillerie, C.'
'Suard, E.'
'Delmas, C.'
_publ_section_title
;
 Structural characterization of Li1-z-x Ni1+z O2 by neutron diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              187
_journal_page_last               197
_journal_volume                  158
_journal_year                    2001
_chemical_formula_sum            'Li0.82 Ni1.02 O2'
_chemical_name_systematic        '(Li0.82 Ni0.026) Ni0.994 O2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   2.86696
_cell_length_b                   2.86696
_cell_length_c                   14.2374
_cell_volume                     101.346
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pouillerie_JSSCBI_2001_1541.cif
_cod_data_source_block           Li0.82Ni1.02O2
_cod_original_cell_volume        101.3455
_cod_database_code               1526280
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+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
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+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
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+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
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+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 0 0.5 0.82 0.0
Ni2 Ni+3 0 0 0 0.994 0.0
Ni1 Ni+2 0 0 0.5 0.026 0.0
O1 O-2 0 0 0.2605 1 0.0
