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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/1/52/99/1529940.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_1529940
loop_
_publ_author_name
'Fischer, P.'
'Schefer, J.'
'Yvon, K.'
'Schlapbach, L.'
'Riesterer, T.'
_publ_section_title
;
 Orthorhombic structure of gamma Ti Fe D2
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              39
_journal_page_last               45
_journal_volume                  129
_journal_year                    1987
_chemical_formula_sum            'D1.94 Fe Ti'
_chemical_name_systematic        'Ti Fe D1.94'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.029
_cell_length_b                   6.233
_cell_length_c                   2.835
_cell_volume                     124.206
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Fischer_JCOMAH_1987_1388.cif
_cod_data_source_block           D1.94Fe1Ti1
_cod_original_cell_volume        124.2063
_cod_original_formula_sum        'D1.94 Fe1 Ti1'
_cod_database_code               1529940
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Fe1 Fe 0 0.2887 0 1 0.0
Ti1 Ti 0.223 0 0.5 1 0.0
D2 D 0.5 0 0.5 0.91 0.0
D1 D 0.25 0.25 0 1 0.0
D3 D 0 0 0 0.99 0.0
