The material described by Ti3Si crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to three equivalent Si(1) atoms. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to four equivalent Si(1) atoms. In the third Ti site, Ti(3) is bonded in a 2-coordinate geometry to two equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Ti(3), three equivalent Ti(1), and four equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.129
_cell_length_b   10.130
_cell_length_c   5.068
_cell_angle_alpha   89.998
_cell_angle_beta   89.998
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   519.985
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.432  0.967  0.246  1.0
  Ti  Ti1  1  0.068  0.533  0.246  1.0
  Ti  Ti2  1  0.033  0.932  0.746  1.0
  Ti  Ti3  1  0.467  0.568  0.746  1.0
  Ti  Ti4  1  0.568  0.033  0.754  1.0
  Ti  Ti5  1  0.932  0.467  0.754  1.0
  Ti  Ti6  1  0.967  0.068  0.254  1.0
  Ti  Ti7  1  0.533  0.432  0.254  1.0
  Ti  Ti8  1  0.278  0.392  0.968  1.0
  Ti  Ti9  1  0.222  0.108  0.968  1.0
  Ti  Ti10  1  0.608  0.778  0.468  1.0
  Ti  Ti11  1  0.892  0.722  0.468  1.0
  Ti  Ti12  1  0.722  0.608  0.032  1.0
  Ti  Ti13  1  0.778  0.892  0.032  1.0
  Ti  Ti14  1  0.392  0.222  0.532  1.0
  Ti  Ti15  1  0.108  0.278  0.532  1.0
  Ti  Ti16  1  0.332  0.857  0.719  1.0
  Ti  Ti17  1  0.168  0.643  0.719  1.0
  Ti  Ti18  1  0.143  0.832  0.218  1.0
  Ti  Ti19  1  0.357  0.668  0.218  1.0
  Ti  Ti20  1  0.668  0.143  0.281  1.0
  Ti  Ti21  1  0.832  0.357  0.281  1.0
  Ti  Ti22  1  0.857  0.168  0.782  1.0
  Ti  Ti23  1  0.643  0.332  0.782  1.0
  Si  Si24  1  0.292  0.455  0.462  1.0
  Si  Si25  1  0.208  0.045  0.462  1.0
  Si  Si26  1  0.545  0.792  0.962  1.0
  Si  Si27  1  0.955  0.708  0.962  1.0
  Si  Si28  1  0.708  0.545  0.538  1.0
  Si  Si29  1  0.792  0.955  0.538  1.0
  Si  Si30  1  0.455  0.208  0.038  1.0
  Si  Si31  1  0.045  0.292  0.038  1.0
[/CIF]
.
The material described by Ti3Si crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to three equivalent Si(1) atoms. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to four equivalent Si(1) atoms. In the third Ti site, Ti(3) is bonded in a 2-coordinate geometry to two equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Ti(3), three equivalent Ti(1), and four equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.129
_cell_length_b   10.130
_cell_length_c   5.068
_cell_angle_alpha   89.998
_cell_angle_beta   89.998
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   519.985
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.432  0.967  0.246  1.0
  Ti  Ti1  1  0.068  0.533  0.246  1.0
  Ti  Ti2  1  0.033  0.932  0.746  1.0
  Ti  Ti3  1  0.467  0.568  0.746  1.0
  Ti  Ti4  1  0.568  0.033  0.754  1.0
  Ti  Ti5  1  0.932  0.467  0.754  1.0
  Ti  Ti6  1  0.967  0.068  0.254  1.0
  Ti  Ti7  1  0.533  0.432  0.254  1.0
  Ti  Ti8  1  0.278  0.392  0.968  1.0
  Ti  Ti9  1  0.222  0.108  0.968  1.0
  Ti  Ti10  1  0.608  0.778  0.468  1.0
  Ti  Ti11  1  0.892  0.722  0.468  1.0
  Ti  Ti12  1  0.722  0.608  0.032  1.0
  Ti  Ti13  1  0.778  0.892  0.032  1.0
  Ti  Ti14  1  0.392  0.222  0.532  1.0
  Ti  Ti15  1  0.108  0.278  0.532  1.0
  Ti  Ti16  1  0.332  0.857  0.719  1.0
  Ti  Ti17  1  0.168  0.643  0.719  1.0
  Ti  Ti18  1  0.143  0.832  0.218  1.0
  Ti  Ti19  1  0.357  0.668  0.218  1.0
  Ti  Ti20  1  0.668  0.143  0.281  1.0
  Ti  Ti21  1  0.832  0.357  0.281  1.0
  Ti  Ti22  1  0.857  0.168  0.782  1.0
  Ti  Ti23  1  0.643  0.332  0.782  1.0
  Si  Si24  1  0.292  0.455  0.462  1.0
  Si  Si25  1  0.208  0.045  0.462  1.0
  Si  Si26  1  0.545  0.792  0.962  1.0
  Si  Si27  1  0.955  0.708  0.962  1.0
  Si  Si28  1  0.708  0.545  0.538  1.0
  Si  Si29  1  0.792  0.955  0.538  1.0
  Si  Si30  1  0.455  0.208  0.038  1.0
  Si  Si31  1  0.045  0.292  0.038  1.0
[/CIF]
.