#------------------------------------------------------------------------------
#$Date: 2015-10-05 14:58:39 +0200 (lun 05 de oct de 2015) $
#$Revision: 160266 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/39/1533973.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_1533973
loop_
_publ_author_name
'Kobayashi, H.'
'Uebou, Y.'
'Yamamoto, Y.'
'Tabuchi, M.'
'Kageyama, H.'
'Matsuoka, M.'
'Tamaki, J.'
_publ_section_title
;
 Structure, physical properties and charge-discharge characteristics of
 Fe-doped Li2 Ir O3
;
_journal_name_full               'Journal of the Electrochemical Society'
_journal_page_first              A1408
_journal_page_last               A1415
_journal_volume                  150
_journal_year                    2003
_chemical_formula_sum            'Fe0.467 Ir0.333 Li1.2 O2'
_chemical_name_systematic        'Li (Li0.2 Ir0.333 Fe0.467) 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                   2.9621
_cell_length_b                   2.9621
_cell_length_c                   14.4901
_cell_volume                     110.104
_citation_journal_id_ASTM        JESOAN
_cod_data_source_file            Kobayashi_JESOAN_2003_763.cif
_cod_data_source_block           Fe0.467Ir0.333Li1.2O2
_cod_original_cell_volume        110.1036
_cod_database_code               1533973
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
Ir1 Ir+4 0 0 0.5 0.333 0.0
Li1 Li+1 0 0 0.5 0.2 0.0
Fe1 Fe+3 0 0 0.5 0.467 0.0
O1 O-2 0 0 0.245 1 0.0
Li2 Li+1 0 0 0 1 0.0
