The structure described by Hf2(NiP)3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(1), two equivalent Ni(3), one P(1), two equivalent P(2), and three equivalent P(3) atoms. In the second Hf site, Hf(2) is bonded in a 15-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), three equivalent Ni(3), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Hf(1), three equivalent Hf(2), one P(2), and three equivalent P(1) atoms to form distorted NiHf5P4 tetrahedra that share corners with eight equivalent P(3)Hf5Ni2 pentagonal bipyramids, edges with two equivalent P(3)Hf5Ni2 pentagonal bipyramids, and faces with four equivalent Ni(1)Hf5P4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Hf(1), three equivalent Hf(2), one P(1), one P(3), and two equivalent P(2) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to two equivalent Hf(1), three equivalent Hf(2), one P(2), one P(3), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Hf(1), two equivalent Hf(2), one Ni(2), two equivalent Ni(3), and three equivalent Ni(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms. In the third P site, P(3) is bonded to two equivalent Hf(2), three equivalent Hf(1), one Ni(2), and one Ni(3) atom to form distorted PHf5Ni2 pentagonal bipyramids that share corners with eight equivalent Ni(1)Hf5P4 tetrahedra, edges with four equivalent P(3)Hf5Ni2 pentagonal bipyramids, and edges with two equivalent Ni(1)Hf5P4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2(NiP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.588
_cell_length_b   9.944
_cell_length_c   12.189
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.962
_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
  Hf  Hf0  1  0.250  0.336  0.996  1.0
  Hf  Hf1  1  0.250  0.164  0.496  1.0
  Hf  Hf2  1  0.750  0.664  0.004  1.0
  Hf  Hf3  1  0.750  0.836  0.504  1.0
  Hf  Hf4  1  0.250  0.427  0.710  1.0
  Hf  Hf5  1  0.250  0.073  0.210  1.0
  Hf  Hf6  1  0.750  0.573  0.290  1.0
  Hf  Hf7  1  0.750  0.927  0.790  1.0
  Ni  Ni8  1  0.250  0.904  0.982  1.0
  Ni  Ni9  1  0.250  0.596  0.483  1.0
  Ni  Ni10  1  0.750  0.096  0.017  1.0
  Ni  Ni11  1  0.750  0.404  0.518  1.0
  Ni  Ni12  1  0.250  0.135  0.717  1.0
  Ni  Ni13  1  0.250  0.365  0.217  1.0
  Ni  Ni14  1  0.750  0.865  0.283  1.0
  Ni  Ni15  1  0.750  0.635  0.783  1.0
  Ni  Ni16  1  0.250  0.775  0.165  1.0
  Ni  Ni17  1  0.250  0.725  0.665  1.0
  Ni  Ni18  1  0.750  0.225  0.835  1.0
  Ni  Ni19  1  0.750  0.275  0.335  1.0
  P  P20  1  0.250  0.103  0.898  1.0
  P  P21  1  0.250  0.397  0.398  1.0
  P  P22  1  0.750  0.897  0.102  1.0
  P  P23  1  0.750  0.603  0.602  1.0
  P  P24  1  0.250  0.739  0.855  1.0
  P  P25  1  0.250  0.761  0.355  1.0
  P  P26  1  0.750  0.261  0.145  1.0
  P  P27  1  0.750  0.239  0.645  1.0
  P  P28  1  0.250  0.555  0.127  1.0
  P  P29  1  0.250  0.945  0.627  1.0
  P  P30  1  0.750  0.445  0.873  1.0
  P  P31  1  0.750  0.055  0.373  1.0
[/CIF]
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The structure described by Hf2(NiP)3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(1), two equivalent Ni(3), one P(1), two equivalent P(2), and three equivalent P(3) atoms. In the second Hf site, Hf(2) is bonded in a 15-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), three equivalent Ni(3), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Hf(1), three equivalent Hf(2), one P(2), and three equivalent P(1) atoms to form distorted NiHf5P4 tetrahedra that share corners with eight equivalent P(3)Hf5Ni2 pentagonal bipyramids, edges with two equivalent P(3)Hf5Ni2 pentagonal bipyramids, and faces with four equivalent Ni(1)Hf5P4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Hf(1), three equivalent Hf(2), one P(1), one P(3), and two equivalent P(2) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to two equivalent Hf(1), three equivalent Hf(2), one P(2), one P(3), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Hf(1), two equivalent Hf(2), one Ni(2), two equivalent Ni(3), and three equivalent Ni(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms. In the third P site, P(3) is bonded to two equivalent Hf(2), three equivalent Hf(1), one Ni(2), and one Ni(3) atom to form distorted PHf5Ni2 pentagonal bipyramids that share corners with eight equivalent Ni(1)Hf5P4 tetrahedra, edges with four equivalent P(3)Hf5Ni2 pentagonal bipyramids, and edges with two equivalent Ni(1)Hf5P4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2(NiP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.588
_cell_length_b   9.944
_cell_length_c   12.189
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.962
_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
  Hf  Hf0  1  0.250  0.336  0.996  1.0
  Hf  Hf1  1  0.250  0.164  0.496  1.0
  Hf  Hf2  1  0.750  0.664  0.004  1.0
  Hf  Hf3  1  0.750  0.836  0.504  1.0
  Hf  Hf4  1  0.250  0.427  0.710  1.0
  Hf  Hf5  1  0.250  0.073  0.210  1.0
  Hf  Hf6  1  0.750  0.573  0.290  1.0
  Hf  Hf7  1  0.750  0.927  0.790  1.0
  Ni  Ni8  1  0.250  0.904  0.982  1.0
  Ni  Ni9  1  0.250  0.596  0.483  1.0
  Ni  Ni10  1  0.750  0.096  0.017  1.0
  Ni  Ni11  1  0.750  0.404  0.518  1.0
  Ni  Ni12  1  0.250  0.135  0.717  1.0
  Ni  Ni13  1  0.250  0.365  0.217  1.0
  Ni  Ni14  1  0.750  0.865  0.283  1.0
  Ni  Ni15  1  0.750  0.635  0.783  1.0
  Ni  Ni16  1  0.250  0.775  0.165  1.0
  Ni  Ni17  1  0.250  0.725  0.665  1.0
  Ni  Ni18  1  0.750  0.225  0.835  1.0
  Ni  Ni19  1  0.750  0.275  0.335  1.0
  P  P20  1  0.250  0.103  0.898  1.0
  P  P21  1  0.250  0.397  0.398  1.0
  P  P22  1  0.750  0.897  0.102  1.0
  P  P23  1  0.750  0.603  0.602  1.0
  P  P24  1  0.250  0.739  0.855  1.0
  P  P25  1  0.250  0.761  0.355  1.0
  P  P26  1  0.750  0.261  0.145  1.0
  P  P27  1  0.750  0.239  0.645  1.0
  P  P28  1  0.250  0.555  0.127  1.0
  P  P29  1  0.250  0.945  0.627  1.0
  P  P30  1  0.750  0.445  0.873  1.0
  P  P31  1  0.750  0.055  0.373  1.0
[/CIF]
.