The compound described by Hf2NiP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 7-coordinate geometry to four equivalent Ni(1) and three equivalent P(1) atoms. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to three equivalent Ni(1) and four equivalent P(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Hf(2), four equivalent Hf(1), and two equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1), four equivalent Hf(2), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.566
_cell_length_b   5.148
_cell_length_c   7.475
_cell_angle_alpha   111.135
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   128.004
_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
  Hf  Hf0  1  0.750  0.207  0.429  1.0
  Hf  Hf1  1  0.250  0.793  0.571  1.0
  Hf  Hf2  1  0.250  0.789  0.075  1.0
  Hf  Hf3  1  0.750  0.211  0.925  1.0
  Ni  Ni4  1  0.750  0.647  0.293  1.0
  Ni  Ni5  1  0.250  0.353  0.707  1.0
  P  P6  1  0.250  0.350  0.210  1.0
  P  P7  1  0.750  0.650  0.790  1.0
[/CIF]
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The compound described by Hf2NiP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 7-coordinate geometry to four equivalent Ni(1) and three equivalent P(1) atoms. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to three equivalent Ni(1) and four equivalent P(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Hf(2), four equivalent Hf(1), and two equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1), four equivalent Hf(2), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.566
_cell_length_b   5.148
_cell_length_c   7.475
_cell_angle_alpha   111.135
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   128.004
_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
  Hf  Hf0  1  0.750  0.207  0.429  1.0
  Hf  Hf1  1  0.250  0.793  0.571  1.0
  Hf  Hf2  1  0.250  0.789  0.075  1.0
  Hf  Hf3  1  0.750  0.211  0.925  1.0
  Ni  Ni4  1  0.750  0.647  0.293  1.0
  Ni  Ni5  1  0.250  0.353  0.707  1.0
  P  P6  1  0.250  0.350  0.210  1.0
  P  P7  1  0.750  0.650  0.790  1.0
[/CIF]
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