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#$Date: 2015-07-07 16:06:22 +0300 (Tue, 07 Jul 2015) $
#$Revision: 140830 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/11/1521163.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_1521163
loop_
_publ_author_name
'Hirata, T.'
_publ_section_title
;
 Oxygen position, octahedral distortion, and bond-valence parameter from
 bond lengths in Ti1-x Snx O2 (0<x<1)
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              3205
_journal_page_last               3207
_journal_volume                  83
_journal_year                    2000
_chemical_formula_sum            'O2 Sn0.5 Ti0.5'
_chemical_name_systematic        '(Ti0.5 Sn0.5) O2'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6661
_cell_length_b                   4.6661
_cell_length_c                   3.0727
_cell_volume                     66.900
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            Hirata_JACTAW_2000_1695.cif
_cod_data_source_block           O2Sn0.5Ti0.5
_cod_original_cell_volume        66.90033
_cod_database_code               1521163
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,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
O1 O-2 0.3058 0.3058 0 1 0.0
Ti1 Ti+4 0 0 0 0.5 0.0
Sn1 Sn+4 0 0 0 0.5 0.0