#------------------------------------------------------------------------------
#$Date: 2015-07-12 20:19:16 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147821 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/66/1526610.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_1526610
loop_
_publ_author_name
'Shin, Y.-J.'
'Yi, M.-Y.'
_publ_section_title
;
 Preparation and structural properties of layer-type oxides Nax Nix/2
 Ti1-x/2 O2 (0.60 < x < 1.0)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              131
_journal_page_last               141
_journal_volume                  132
_journal_year                    2000
_chemical_formula_sum            'Na0.9 Ni0.45 O2 Ti0.55'
_chemical_name_systematic        'Na0.9 (Ni0.45 Ti0.55) 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                   2.9997
_cell_length_b                   2.9997
_cell_length_c                   16.17259
_cell_volume                     126.028
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Shin_SSIOD3_2000_569.cif
_cod_data_source_block           Na0.9Ni0.45O2Ti0.55
_cod_original_cell_volume        126.0277
_cod_database_code               1526610
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
O1 O-2 0 0 0.2666 1 0.0
Ti1 Ti+4 0 0 0 0.55 0.0
Ni1 Ni+2 0 0 0 0.45 0.0
Na1 Na+1 0 0 0.5 0.9 0.0
