The structure described by NbNiP2 crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded in a 7-coordinate geometry to three equivalent P(1) and four equivalent P(2) atoms. Ni(1) is bonded in a 5-coordinate geometry to two equivalent P(2) and three equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to three equivalent Nb(1) and three equivalent Ni(1) atoms. In the second P site, P(2) is bonded to four equivalent Nb(1) and two equivalent Ni(1) atoms to form a mixture of distorted corner, edge, and face-sharing PNb4Ni2 pentagonal pyramids. is represented by the CIF file [CIF]
data_NbNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.347
_cell_length_b   5.397
_cell_length_c   12.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.900
_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
  Nb  Nb0  1  0.750  0.987  0.830  1.0
  Nb  Nb1  1  0.250  0.013  0.170  1.0
  Nb  Nb2  1  0.750  0.487  0.670  1.0
  Nb  Nb3  1  0.250  0.513  0.330  1.0
  Ni  Ni4  1  0.250  0.516  0.086  1.0
  Ni  Ni5  1  0.250  0.016  0.414  1.0
  Ni  Ni6  1  0.750  0.484  0.914  1.0
  Ni  Ni7  1  0.750  0.984  0.586  1.0
  P  P8  1  0.250  0.697  0.537  1.0
  P  P9  1  0.750  0.303  0.463  1.0
  P  P10  1  0.250  0.197  0.963  1.0
  P  P11  1  0.750  0.803  0.037  1.0
  P  P12  1  0.250  0.638  0.810  1.0
  P  P13  1  0.750  0.862  0.310  1.0
  P  P14  1  0.250  0.138  0.690  1.0
  P  P15  1  0.750  0.362  0.190  1.0
[/CIF]
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The structure described by NbNiP2 crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded in a 7-coordinate geometry to three equivalent P(1) and four equivalent P(2) atoms. Ni(1) is bonded in a 5-coordinate geometry to two equivalent P(2) and three equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to three equivalent Nb(1) and three equivalent Ni(1) atoms. In the second P site, P(2) is bonded to four equivalent Nb(1) and two equivalent Ni(1) atoms to form a mixture of distorted corner, edge, and face-sharing PNb4Ni2 pentagonal pyramids. is represented by the CIF file [CIF]
data_NbNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.347
_cell_length_b   5.397
_cell_length_c   12.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.900
_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
  Nb  Nb0  1  0.750  0.987  0.830  1.0
  Nb  Nb1  1  0.250  0.013  0.170  1.0
  Nb  Nb2  1  0.750  0.487  0.670  1.0
  Nb  Nb3  1  0.250  0.513  0.330  1.0
  Ni  Ni4  1  0.250  0.516  0.086  1.0
  Ni  Ni5  1  0.250  0.016  0.414  1.0
  Ni  Ni6  1  0.750  0.484  0.914  1.0
  Ni  Ni7  1  0.750  0.984  0.586  1.0
  P  P8  1  0.250  0.697  0.537  1.0
  P  P9  1  0.750  0.303  0.463  1.0
  P  P10  1  0.250  0.197  0.963  1.0
  P  P11  1  0.750  0.803  0.037  1.0
  P  P12  1  0.250  0.638  0.810  1.0
  P  P13  1  0.750  0.862  0.310  1.0
  P  P14  1  0.250  0.138  0.690  1.0
  P  P15  1  0.750  0.362  0.190  1.0
[/CIF]
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