The compound described by MoNiP8 crystallizes in the trigonal P-31c space group. Mo(1) is bonded in a body-centered cubic geometry to two equivalent P(2) and six equivalent P(1) atoms. Ni(1) is bonded to six equivalent P(1) atoms to form NiP6 octahedra that share corners with six equivalent P(2)MoP3 tetrahedra. There are two inequivalent P sites. In the first P site, P(2) is bonded to one Mo(1) and three equivalent P(1) atoms to form distorted PMoP3 tetrahedra that share corners with three equivalent Ni(1)P6 octahedra and  a cornercorner with one P(2)MoP3 tetrahedra. The corner-sharing octahedral tilt angles are 75°. In the second P site, P(1) is bonded in a 4-coordinate geometry to one Mo(1), one Ni(1), one P(1), and one P(2) atom. is represented by the CIF file [CIF]
data_NiMoP8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.252
_cell_length_b   6.252
_cell_length_c   8.773
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   296.918
_cell_formula_units_Z   2
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  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  Mo  Mo2  1  0.333  0.667  0.750  1.0
  Mo  Mo3  1  0.667  0.333  0.250  1.0
  P  P4  1  0.955  0.275  0.653  1.0
  P  P5  1  0.725  0.680  0.653  1.0
  P  P6  1  0.320  0.045  0.653  1.0
  P  P7  1  0.725  0.045  0.847  1.0
  P  P8  1  0.333  0.667  0.037  1.0
  P  P9  1  0.333  0.667  0.463  1.0
  P  P10  1  0.667  0.333  0.963  1.0
  P  P11  1  0.667  0.333  0.537  1.0
  P  P12  1  0.045  0.320  0.153  1.0
  P  P13  1  0.680  0.725  0.153  1.0
  P  P14  1  0.275  0.955  0.153  1.0
  P  P15  1  0.680  0.955  0.347  1.0
  P  P16  1  0.275  0.320  0.347  1.0
  P  P17  1  0.045  0.725  0.347  1.0
  P  P18  1  0.955  0.680  0.847  1.0
  P  P19  1  0.320  0.275  0.847  1.0
[/CIF]
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The compound described by MoNiP8 crystallizes in the trigonal P-31c space group. Mo(1) is bonded in a body-centered cubic geometry to two equivalent P(2) and six equivalent P(1) atoms. Ni(1) is bonded to six equivalent P(1) atoms to form NiP6 octahedra that share corners with six equivalent P(2)MoP3 tetrahedra. There are two inequivalent P sites. In the first P site, P(2) is bonded to one Mo(1) and three equivalent P(1) atoms to form distorted PMoP3 tetrahedra that share corners with three equivalent Ni(1)P6 octahedra and  a cornercorner with one P(2)MoP3 tetrahedra. The corner-sharing octahedral tilt angles are 75°. In the second P site, P(1) is bonded in a 4-coordinate geometry to one Mo(1), one Ni(1), one P(1), and one P(2) atom. is represented by the CIF file [CIF]
data_NiMoP8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.252
_cell_length_b   6.252
_cell_length_c   8.773
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   296.918
_cell_formula_units_Z   2
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  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  Mo  Mo2  1  0.333  0.667  0.750  1.0
  Mo  Mo3  1  0.667  0.333  0.250  1.0
  P  P4  1  0.955  0.275  0.653  1.0
  P  P5  1  0.725  0.680  0.653  1.0
  P  P6  1  0.320  0.045  0.653  1.0
  P  P7  1  0.725  0.045  0.847  1.0
  P  P8  1  0.333  0.667  0.037  1.0
  P  P9  1  0.333  0.667  0.463  1.0
  P  P10  1  0.667  0.333  0.963  1.0
  P  P11  1  0.667  0.333  0.537  1.0
  P  P12  1  0.045  0.320  0.153  1.0
  P  P13  1  0.680  0.725  0.153  1.0
  P  P14  1  0.275  0.955  0.153  1.0
  P  P15  1  0.680  0.955  0.347  1.0
  P  P16  1  0.275  0.320  0.347  1.0
  P  P17  1  0.045  0.725  0.347  1.0
  P  P18  1  0.955  0.680  0.847  1.0
  P  P19  1  0.320  0.275  0.847  1.0
[/CIF]
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