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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/1/53/87/1538725.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_1538725
loop_
_publ_author_name
'Kjekshus, A.'
'Gronvold, F.'
'Thorbjornsen, J.'
_publ_section_title
;
 On the phase relationships in the titanium-antimony system. The crystal
 structure of Ti3 Sb
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1493
_journal_page_last               1510
_journal_volume                  16
_journal_year                    1962
_chemical_formula_sum            'Sb Ti'
_chemical_name_systematic        'Ti Sb'
_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                   4.115
_cell_length_b                   4.115
_cell_length_c                   6.264
_cell_volume                     91.859
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Kjekshus_ACSAA4_1962_1869.cif
_cod_data_source_block           Sb1Ti1
_cod_original_cell_volume        91.85906
_cod_original_formula_sum        'Sb1 Ti1'
_cod_database_code               1538725
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
Ti1 Ti 0.3333 0.6667 0.25 1 0.0
Sb1 Sb 0 0 0 1 0.0
