The crystal structure described by TaNiP2 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded in a 7-coordinate geometry to three equivalent P(2) and four equivalent P(1) atoms. Ni(1) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent Ta(1) and two equivalent Ni(1) atoms to form a mixture of distorted corner, edge, and face-sharing PTa4Ni2 pentagonal pyramids. In the second P site, P(2) is bonded in a 6-coordinate geometry to three equivalent Ta(1) and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.322
_cell_length_b   5.408
_cell_length_c   12.154
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.383
_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  0.015  0.830  1.0
  Ta  Ta1  1  0.250  0.515  0.670  1.0
  Ta  Ta2  1  0.750  0.985  0.170  1.0
  Ta  Ta3  1  0.750  0.485  0.330  1.0
  Ni  Ni4  1  0.250  0.023  0.586  1.0
  Ni  Ni5  1  0.250  0.523  0.914  1.0
  Ni  Ni6  1  0.750  0.977  0.414  1.0
  Ni  Ni7  1  0.750  0.477  0.086  1.0
  P  P8  1  0.250  0.139  0.309  1.0
  P  P9  1  0.250  0.639  0.191  1.0
  P  P10  1  0.750  0.861  0.691  1.0
  P  P11  1  0.750  0.361  0.809  1.0
  P  P12  1  0.250  0.193  0.036  1.0
  P  P13  1  0.250  0.693  0.464  1.0
  P  P14  1  0.750  0.807  0.964  1.0
  P  P15  1  0.750  0.307  0.536  1.0
[/CIF]
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The crystal structure described by TaNiP2 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded in a 7-coordinate geometry to three equivalent P(2) and four equivalent P(1) atoms. Ni(1) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent Ta(1) and two equivalent Ni(1) atoms to form a mixture of distorted corner, edge, and face-sharing PTa4Ni2 pentagonal pyramids. In the second P site, P(2) is bonded in a 6-coordinate geometry to three equivalent Ta(1) and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.322
_cell_length_b   5.408
_cell_length_c   12.154
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.383
_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  0.015  0.830  1.0
  Ta  Ta1  1  0.250  0.515  0.670  1.0
  Ta  Ta2  1  0.750  0.985  0.170  1.0
  Ta  Ta3  1  0.750  0.485  0.330  1.0
  Ni  Ni4  1  0.250  0.023  0.586  1.0
  Ni  Ni5  1  0.250  0.523  0.914  1.0
  Ni  Ni6  1  0.750  0.977  0.414  1.0
  Ni  Ni7  1  0.750  0.477  0.086  1.0
  P  P8  1  0.250  0.139  0.309  1.0
  P  P9  1  0.250  0.639  0.191  1.0
  P  P10  1  0.750  0.861  0.691  1.0
  P  P11  1  0.750  0.361  0.809  1.0
  P  P12  1  0.250  0.193  0.036  1.0
  P  P13  1  0.250  0.693  0.464  1.0
  P  P14  1  0.750  0.807  0.964  1.0
  P  P15  1  0.750  0.307  0.536  1.0
[/CIF]
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