data_1010453
_publ_section_title
;
Die Kristallstruktur von Ni₃ Ti und Si₂ Ti
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              78
_journal_page_last               93
_journal_volume                  101
_journal_year                    1939
_chemical_formula_structural     'Si2 Ti'
_chemical_formula_sum            'Si2 Ti'
_chemical_name_systematic        'Titanium silicide (1/2)'
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.236
_cell_length_b                   4.773
_cell_length_c                   8.523
_cell_volume                     335.0
_[local]_cod_cif_authors_sg_H-M  'F d d d S'
_cod_database_code               1010453
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
1/4-x,1/4-y,1/4-z
1/4+x,1/4-y,1/4+z
x,-y,-z
-x,-y,z
1/4-x,1/4+y,1/4+z
1/4+x,1/4+y,1/4-z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
1/4-x,3/4-y,3/4-z
3/4-x,1/4-y,3/4-z
3/4-x,3/4-y,1/4-z
1/4+x,3/4-y,3/4+z
3/4+x,1/4-y,3/4+z
3/4+x,3/4-y,1/4+z
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
1/4-x,3/4+y,3/4+z
3/4-x,1/4+y,3/4+z
3/4-x,3/4+y,1/4+z
1/4+x,3/4+y,3/4-z
3/4+x,1/4+y,3/4-z
3/4+x,3/4+y,1/4-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ti1 Ti0 8 a 0. 0. 0. 1. 0 d
Si1 Si0 16 e 0.333 0. 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ti0 0.000
Si0 0.000
