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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/19/1521914.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_1521914
loop_
_publ_author_name
'Shan, Y.J.'
'Inaguma, Y.'
'Miyata, M.'
'Kobashi, K.'
'Nakamura, T.'
'Itoh, M.'
_publ_section_title
;
 New perovskite oxide (Tl1/2 Na1/2) Ti O3
;
_journal_name_full
'Materials Research Society Symposia Proceedings'
_journal_page_first              105
_journal_page_last               114
_journal_volume                  547
_journal_year                    1999
_chemical_formula_sum            'Na0.5 O3 Ti Tl0.5'
_chemical_name_systematic        '(Tl0.5 Na0.5) (Ti O3)'
_space_group_IT_number           99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8147
_cell_length_b                   3.8147
_cell_length_c                   3.8246
_cell_volume                     55.655
_citation_journal_id_ASTM        MRSPDH
_cod_data_source_file            Shan_MRSPDH_1999_545.cif
_cod_data_source_block           Na0.5O3Ti1Tl0.5
_cod_original_cell_volume        55.65533
_cod_original_formula_sum        'Na0.5 O3 Ti1 Tl0.5'
_cod_database_code               1521914
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,y,z
-y,-x,z
x,-y,z
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
O2 O-2 0 0.5 0.4216 1 0.0
O1 O-2 0.5 0.5 0.92726 1 0.0
Ti1 Ti+4 0.5 0.5 -0.5236 1 0.0
Tl1 Tl+3 0 0 0 0.5 0.0
Na1 Na+1 0 0 0 0.5 0.0
