The structure described by TiNiAs crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1) and five equivalent As(1) atoms. Ni(1) is bonded in a 4-coordinate geometry to six equivalent Ti(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to five equivalent Ti(1) and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_TiNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.751
_cell_length_b   6.254
_cell_length_c   7.135
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.365
_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  0.474  0.179  1.0
  Ti  Ti1  1  0.750  0.974  0.321  1.0
  Ti  Ti2  1  0.250  0.526  0.821  1.0
  Ti  Ti3  1  0.250  0.026  0.679  1.0
  Ni  Ni4  1  0.750  0.354  0.562  1.0
  Ni  Ni5  1  0.750  0.854  0.938  1.0
  Ni  Ni6  1  0.250  0.646  0.438  1.0
  Ni  Ni7  1  0.250  0.146  0.062  1.0
  As  As8  1  0.750  0.235  0.878  1.0
  As  As9  1  0.750  0.735  0.622  1.0
  As  As10  1  0.250  0.765  0.122  1.0
  As  As11  1  0.250  0.265  0.378  1.0
[/CIF]
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The structure described by TiNiAs crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1) and five equivalent As(1) atoms. Ni(1) is bonded in a 4-coordinate geometry to six equivalent Ti(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to five equivalent Ti(1) and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_TiNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.751
_cell_length_b   6.254
_cell_length_c   7.135
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.365
_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  0.474  0.179  1.0
  Ti  Ti1  1  0.750  0.974  0.321  1.0
  Ti  Ti2  1  0.250  0.526  0.821  1.0
  Ti  Ti3  1  0.250  0.026  0.679  1.0
  Ni  Ni4  1  0.750  0.354  0.562  1.0
  Ni  Ni5  1  0.750  0.854  0.938  1.0
  Ni  Ni6  1  0.250  0.646  0.438  1.0
  Ni  Ni7  1  0.250  0.146  0.062  1.0
  As  As8  1  0.750  0.235  0.878  1.0
  As  As9  1  0.750  0.735  0.622  1.0
  As  As10  1  0.250  0.765  0.122  1.0
  As  As11  1  0.250  0.265  0.378  1.0
[/CIF]
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