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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/1/53/18/1531832.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_1531832
loop_
_publ_author_name
'Melnyk, G.'
'Tremel, W.'
_publ_section_title
;
 The titanium - iron - antimony ternary system and the crystal and
 electronic structure of the interstitial compound Ti5 Fe Sb2
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              164
_journal_page_last               171
_journal_volume                  349
_journal_year                    2003
_chemical_formula_sum            'Fe Sb Ti0.8'
_chemical_name_systematic        'Ti0.8 Fe Sb'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9429
_cell_length_b                   5.9429
_cell_length_c                   5.9429
_cell_volume                     209.892
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Melnyk_JALCEU_2003_1290.cif
_cod_data_source_block           Fe1Sb1Ti0.8
_cod_original_cell_volume        209.8917
_cod_original_formula_sum        'Fe1 Sb1 Ti0.8'
_cod_database_code               1531832
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
z,x,y
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z,-x,-y
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z,y,x
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x,-y+1/2,-z+1/2
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y,x+1/2,z+1/2
z,x+1/2,y+1/2
x,-z+1/2,-y+1/2
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z,-x+1/2,-y+1/2
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x,z+1/2,y+1/2
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z,y+1/2,x+1/2
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x+1/2,y,z+1/2
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-x+1/2,-y,z+1/2
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x+1/2,-y,-z+1/2
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y+1/2,x,z+1/2
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-z+1/2,x+1/2,-y
x+1/2,z+1/2,y
y+1/2,z+1/2,x
y+1/2,-z+1/2,-x
-z+1/2,-y+1/2,x
-y+1/2,z+1/2,-x
z+1/2,y+1/2,x
-y+1/2,-z+1/2,x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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 0.25 0.25 0.25 0.8 0.0
Fe1 Fe 0 0 0 1 0.0
Sb1 Sb 0.5 0.5 0.5 1 0.0
