#------------------------------------------------------------------------------
#$Date: 2015-07-12 18:19:25 +0200 (dom 12 de jul de 2015) $
#$Revision: 147425 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/62/1526282.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_1526282
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            'Li0.63 Ni1.02 O2'
_chemical_name_systematic        '(Li0.63 Ni0.022) Ni0.998 O2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.816
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.9894
_cell_length_b                   2.8247
_cell_length_c                   5.0656
_cell_volume                     67.165
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pouillerie_JSSCBI_2001_1542.cif
_cod_data_source_block           Li0.63Ni1.02O2
_cod_original_cell_volume        67.16491
_cod_database_code               1526282
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
Ni2 Ni+3 0 0 0 0.998 0.0
O1 O-2 0.734 0 0.211 1 0.0
Ni1 Ni+2 0 0.5 0.5 0.022 0.0
Li1 Li+1 0 0.5 0.5 0.63 0.0
