The material described by NiP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. Ni(1) is bonded to six equivalent P(1) atoms to form NiP6 octahedra that share corners with six equivalent Ni(1)P6 octahedra and corners with twelve equivalent P(1)Ni2P2 tetrahedra. The corner-sharing octahedral tilt angles are 62°. P(1) is bonded to two equivalent Ni(1) and two equivalent P(1) atoms to form distorted PNi2P2 tetrahedra that share corners with four equivalent Ni(1)P6 octahedra, corners with ten equivalent P(1)Ni2P2 tetrahedra, and  an edgeedge with one P(1)Ni2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.745
_cell_length_b   6.745
_cell_length_c   6.745
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   236.234
_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
  Ni  Ni0  1  0.500  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.000  0.500  1.0
  Ni  Ni2  1  0.000  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  P  P4  1  0.502  0.858  0.644  1.0
  P  P5  1  0.214  0.858  0.356  1.0
  P  P6  1  0.786  0.142  0.644  1.0
  P  P7  1  0.142  0.356  0.498  1.0
  P  P8  1  0.498  0.142  0.356  1.0
  P  P9  1  0.142  0.644  0.786  1.0
  P  P10  1  0.356  0.214  0.858  1.0
  P  P11  1  0.858  0.644  0.502  1.0
  P  P12  1  0.644  0.786  0.142  1.0
  P  P13  1  0.858  0.356  0.214  1.0
  P  P14  1  0.644  0.502  0.858  1.0
  P  P15  1  0.356  0.498  0.142  1.0
[/CIF]
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The material described by NiP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. Ni(1) is bonded to six equivalent P(1) atoms to form NiP6 octahedra that share corners with six equivalent Ni(1)P6 octahedra and corners with twelve equivalent P(1)Ni2P2 tetrahedra. The corner-sharing octahedral tilt angles are 62°. P(1) is bonded to two equivalent Ni(1) and two equivalent P(1) atoms to form distorted PNi2P2 tetrahedra that share corners with four equivalent Ni(1)P6 octahedra, corners with ten equivalent P(1)Ni2P2 tetrahedra, and  an edgeedge with one P(1)Ni2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.745
_cell_length_b   6.745
_cell_length_c   6.745
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   236.234
_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
  Ni  Ni0  1  0.500  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.000  0.500  1.0
  Ni  Ni2  1  0.000  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  P  P4  1  0.502  0.858  0.644  1.0
  P  P5  1  0.214  0.858  0.356  1.0
  P  P6  1  0.786  0.142  0.644  1.0
  P  P7  1  0.142  0.356  0.498  1.0
  P  P8  1  0.498  0.142  0.356  1.0
  P  P9  1  0.142  0.644  0.786  1.0
  P  P10  1  0.356  0.214  0.858  1.0
  P  P11  1  0.858  0.644  0.502  1.0
  P  P12  1  0.644  0.786  0.142  1.0
  P  P13  1  0.858  0.356  0.214  1.0
  P  P14  1  0.644  0.502  0.858  1.0
  P  P15  1  0.356  0.498  0.142  1.0
[/CIF]
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