#------------------------------------------------------------------------------
#$Date: 2015-09-18 23:09:51 +0200 (vie 18 de sep de 2015) $
#$Revision: 157926 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/22/1532246.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_1532246
loop_
_publ_author_name
'Shilov, G.V.'
'Nalbandyan, V.B.'
'Volochaev, V.A.'
'Atovmyan, L.O.'
_publ_section_title
;
 Crystal growth and crystal structures of the layered ionic conductors -
 sodium lithium titanium oxides
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              443
_journal_page_last               449
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Li0.23 Na0.66 O2 Ti0.77'
_chemical_name_systematic        'Na0.66 (Li0.23 Ti0.77) O2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.96
_cell_length_b                   2.96
_cell_length_c                   11.127
_cell_volume                     84.429
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            Shilov_IJIMCR_2000_1701.cif
_cod_data_source_block           Li0.23Na0.66O2Ti0.77
_cod_original_cell_volume        84.4291
_cod_database_code               1532246
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Li1 Li+1 0 0 0 0.23 0.0
Na2 Na+1 0 0 0.25 0.29 0.0
O1 O-2 0.3333 0.6667 0.40609 1 0.0
Na1 Na+1 0.6667 0.3333 0.25 0.361 0.0
Ti1 Ti+4 0 0 0.5 0.77 0.0
