The compound described by TaNiAs crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded in a 10-coordinate geometry to five equivalent Ni(1) and five equivalent As(1) atoms. Ni(1) is bonded in a 4-coordinate geometry to five equivalent Ta(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to five equivalent Ta(1) and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.703
_cell_length_b   6.291
_cell_length_c   7.302
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.069
_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
  Ta  Ta0  1  0.250  0.019  0.339  1.0
  Ta  Ta1  1  0.250  0.519  0.161  1.0
  Ta  Ta2  1  0.750  0.981  0.661  1.0
  Ta  Ta3  1  0.750  0.481  0.839  1.0
  Ni  Ni4  1  0.250  0.157  0.928  1.0
  Ni  Ni5  1  0.250  0.657  0.572  1.0
  Ni  Ni6  1  0.750  0.843  0.072  1.0
  Ni  Ni7  1  0.750  0.343  0.428  1.0
  As  As8  1  0.250  0.286  0.624  1.0
  As  As9  1  0.250  0.786  0.876  1.0
  As  As10  1  0.750  0.714  0.376  1.0
  As  As11  1  0.750  0.214  0.124  1.0
[/CIF]
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The compound described by TaNiAs crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded in a 10-coordinate geometry to five equivalent Ni(1) and five equivalent As(1) atoms. Ni(1) is bonded in a 4-coordinate geometry to five equivalent Ta(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to five equivalent Ta(1) and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.703
_cell_length_b   6.291
_cell_length_c   7.302
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.069
_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
  Ta  Ta0  1  0.250  0.019  0.339  1.0
  Ta  Ta1  1  0.250  0.519  0.161  1.0
  Ta  Ta2  1  0.750  0.981  0.661  1.0
  Ta  Ta3  1  0.750  0.481  0.839  1.0
  Ni  Ni4  1  0.250  0.157  0.928  1.0
  Ni  Ni5  1  0.250  0.657  0.572  1.0
  Ni  Ni6  1  0.750  0.843  0.072  1.0
  Ni  Ni7  1  0.750  0.343  0.428  1.0
  As  As8  1  0.250  0.286  0.624  1.0
  As  As9  1  0.250  0.786  0.876  1.0
  As  As10  1  0.750  0.714  0.376  1.0
  As  As11  1  0.750  0.214  0.124  1.0
[/CIF]
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