#------------------------------------------------------------------------------
#$Date: 2015-07-12 19:24:01 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147454 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/63/1526306.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_1526306
loop_
_publ_author_name
'Prado, G.'
'Delmas, C.'
'Fournes, L.'
_publ_section_title
;
 Mixed cobalt and iron substituted lithium nickelate: a structural and
 electrochemical study
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              19
_journal_page_last               30
_journal_volume                  138
_journal_year                    2000
_chemical_formula_sum            'Fe0.1042 Li0.958 Ni0.9378 O2'
_chemical_name_systematic        'Li0.958 (Ni0.9 Fe0.1)1.042 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                   2.8863
_cell_length_b                   2.8863
_cell_length_c                   14.2456
_cell_volume                     102.777
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Prado_SSIOD3_2000_611.cif
_cod_data_source_block           Fe0.1042Li0.958Ni0.9378O2
_cod_original_cell_volume        102.7766
_cod_database_code               1526306
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
Ni2 Ni+2 0 0 0 0.9 0.0
Fe2 Fe+3 0 0 0 0.1 0.0
O1 O-2 0 0 0.2577 1 0.0
Fe1 Fe+3 0 0 0.5 0.004 0.0
Li1 Li+1 0 0 0.5 0.958 0.0
Ni1 Ni+2 0 0 0.5 0.038 0.0
