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#$Date: 2015-10-14 18:59:38 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168938 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539858.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_1539858
loop_
_publ_author_name
'Braun, J.'
'Ellner, M.'
'Predel, B.'
_publ_section_title
;
 Zur Struktur der Hochtemperaturphase Ti1-x AI1+x
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              189
_journal_page_last               193
_journal_volume                  203
_journal_year                    1994
_chemical_formula_sum            'Al2.5 Ti1.5'
_chemical_name_systematic        '(Al2 Ti)1.33'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.03
_cell_length_b                   4.03
_cell_length_c                   3.955
_cell_volume                     64.233
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Braun_JALCEU_1994_938.cif
_cod_data_source_block           Al2.5Ti1.5
_cod_original_cell_volume        64.23277
_cod_database_code               1539858
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
-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
Ti2 Ti 0.5 0.5 0 1 0.0
Al2 Al 0 0.5 0.5 0.75 0.0
Ti1 Ti 0 0.5 0.5 0.25 0.0
Al1 Al 0 0 0 1 0.0