The compound described by TiNiSi crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1) and five equivalent Si(1) atoms. Ni(1) is bonded to six equivalent Ti(1), two equivalent Ni(1), and four equivalent Si(1) atoms to form a mixture of distorted corner, face, and edge-sharing NiTi6Si4Ni2 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to five equivalent Ti(1) and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_TiSiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.643
_cell_length_b   6.129
_cell_length_c   6.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.604
_cell_formula_units_Z   4
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  0.750  0.978  0.181  1.0
  Ti  Ti1  1  0.250  0.022  0.819  1.0
  Ti  Ti2  1  0.750  0.478  0.319  1.0
  Ti  Ti3  1  0.250  0.522  0.681  1.0
  Si  Si4  1  0.750  0.233  0.622  1.0
  Si  Si5  1  0.250  0.767  0.378  1.0
  Si  Si6  1  0.750  0.733  0.878  1.0
  Si  Si7  1  0.250  0.267  0.122  1.0
  Ni  Ni8  1  0.750  0.860  0.560  1.0
  Ni  Ni9  1  0.250  0.140  0.440  1.0
  Ni  Ni10  1  0.750  0.360  0.940  1.0
  Ni  Ni11  1  0.250  0.640  0.060  1.0
[/CIF]
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The compound described by TiNiSi crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1) and five equivalent Si(1) atoms. Ni(1) is bonded to six equivalent Ti(1), two equivalent Ni(1), and four equivalent Si(1) atoms to form a mixture of distorted corner, face, and edge-sharing NiTi6Si4Ni2 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to five equivalent Ti(1) and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_TiSiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.643
_cell_length_b   6.129
_cell_length_c   6.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.604
_cell_formula_units_Z   4
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  0.750  0.978  0.181  1.0
  Ti  Ti1  1  0.250  0.022  0.819  1.0
  Ti  Ti2  1  0.750  0.478  0.319  1.0
  Ti  Ti3  1  0.250  0.522  0.681  1.0
  Si  Si4  1  0.750  0.233  0.622  1.0
  Si  Si5  1  0.250  0.767  0.378  1.0
  Si  Si6  1  0.750  0.733  0.878  1.0
  Si  Si7  1  0.250  0.267  0.122  1.0
  Ni  Ni8  1  0.750  0.860  0.560  1.0
  Ni  Ni9  1  0.250  0.140  0.440  1.0
  Ni  Ni10  1  0.750  0.360  0.940  1.0
  Ni  Ni11  1  0.250  0.640  0.060  1.0
[/CIF]
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