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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/17/1531783.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_1531783
loop_
_publ_author_name
'Matsumura, T.'
'Kamiyama, T.'
'Gover, R.'
'Kawamoto, Y.'
'Kanno, R.'
'Mitchell, B.J.'
_publ_section_title
;
 Synthesis, structure and physical properties of Lix Na1-x Ni O2
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              303
_journal_page_last               309
_journal_volume                  152
_journal_year                    2002
_chemical_formula_sum            'Li0.18 Na0.82 Ni 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                   2.94517
_cell_length_b                   2.94517
_cell_length_c                   15.4643
_cell_volume                     116.167
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Matsumura_SSIOD3_2002_864.cif
_cod_data_source_block           Li0.18Na0.82Ni1O2
_cod_original_cell_volume        116.1667
_cod_original_formula_sum        'Li0.18 Na0.82 Ni1 O2'
_cod_database_code               1531783
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
Ni1 Ni+3 0 0 0.5 0.997 0.0
Na1 Na+1 0 0 0 0.82 0.0
Li1 Li+1 0 0 0 0.179 0.0
O1 O-2 0 0 0.232837 1 0.0
