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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/95/1529535.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_1529535
loop_
_publ_author_name
'Akimoto, J.'
'Takei, H.'
_publ_section_title
;
 Synthesis and Crystal Structure of Na Ti2 O4: A New Mixed-Valence Sodium
 Titanate
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              212
_journal_page_last               217
_journal_volume                  79
_journal_year                    1989
_chemical_formula_sum            'Na O4 Ti2'
_chemical_name_systematic        'Na (Ti2 O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2615
_cell_length_b                   10.7537
_cell_length_c                   2.9556
_cell_volume                     294.364
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Akimoto_JSSCBI_1989_1790.cif
_cod_data_source_block           Na1O4Ti2
_cod_original_cell_volume        294.3642
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Na1 O4 Ti2'
_cod_database_code               1529535
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-z-1/2
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 0.2884 0.6512 0.75 1 0.0
O2 O-2 0.3875 0.9803 0.75 1 0.0
Na1 Na+1 0.24363 0.34683 0.75 1 0.0
Ti1 Ti+3 0.06624 0.10964 0.75 1 0.0
Ti2 Ti+3 0.08209 0.60455 0.75 1 0.0
O3 O-2 0.4795 0.2177 0.75 1 0.0
O4 O-2 0.0801 0.9304 0.75 1 0.0
