The crystal structure described by Hf3P2 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. In the second Hf site, Hf(2) is bonded to two equivalent P(2) and three equivalent P(1) atoms to form edge-sharing HfP5 square pyramids. In the third Hf site, Hf(3) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Hf(1), two equivalent Hf(3), and three equivalent Hf(2) atoms to form a mixture of distorted corner and edge-sharing PHf7 pentagonal bipyramids. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Hf(2), three equivalent Hf(1), and three equivalent Hf(3) atoms. is represented by the CIF card [CIF]
data_Hf3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.577
_cell_length_b   9.807
_cell_length_c   10.155
_cell_angle_alpha   89.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.257
_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  0.798  0.216  1.0
  Hf  Hf1  1  0.750  0.202  0.784  1.0
  Hf  Hf2  1  0.750  0.298  0.284  1.0
  Hf  Hf3  1  0.250  0.702  0.716  1.0
  Hf  Hf4  1  0.250  0.434  0.875  1.0
  Hf  Hf5  1  0.750  0.566  0.125  1.0
  Hf  Hf6  1  0.750  0.934  0.625  1.0
  Hf  Hf7  1  0.250  0.066  0.375  1.0
  Hf  Hf8  1  0.250  0.373  0.545  1.0
  Hf  Hf9  1  0.750  0.627  0.455  1.0
  Hf  Hf10  1  0.750  0.873  0.955  1.0
  Hf  Hf11  1  0.250  0.127  0.045  1.0
  P  P12  1  0.250  0.678  0.973  1.0
  P  P13  1  0.750  0.322  0.027  1.0
  P  P14  1  0.750  0.178  0.527  1.0
  P  P15  1  0.250  0.822  0.473  1.0
  P  P16  1  0.250  0.999  0.807  1.0
  P  P17  1  0.750  0.001  0.193  1.0
  P  P18  1  0.750  0.499  0.693  1.0
  P  P19  1  0.250  0.501  0.307  1.0
[/CIF]
.
The crystal structure described by Hf3P2 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. In the second Hf site, Hf(2) is bonded to two equivalent P(2) and three equivalent P(1) atoms to form edge-sharing HfP5 square pyramids. In the third Hf site, Hf(3) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Hf(1), two equivalent Hf(3), and three equivalent Hf(2) atoms to form a mixture of distorted corner and edge-sharing PHf7 pentagonal bipyramids. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Hf(2), three equivalent Hf(1), and three equivalent Hf(3) atoms. is represented by the CIF card [CIF]
data_Hf3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.577
_cell_length_b   9.807
_cell_length_c   10.155
_cell_angle_alpha   89.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.257
_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  0.798  0.216  1.0
  Hf  Hf1  1  0.750  0.202  0.784  1.0
  Hf  Hf2  1  0.750  0.298  0.284  1.0
  Hf  Hf3  1  0.250  0.702  0.716  1.0
  Hf  Hf4  1  0.250  0.434  0.875  1.0
  Hf  Hf5  1  0.750  0.566  0.125  1.0
  Hf  Hf6  1  0.750  0.934  0.625  1.0
  Hf  Hf7  1  0.250  0.066  0.375  1.0
  Hf  Hf8  1  0.250  0.373  0.545  1.0
  Hf  Hf9  1  0.750  0.627  0.455  1.0
  Hf  Hf10  1  0.750  0.873  0.955  1.0
  Hf  Hf11  1  0.250  0.127  0.045  1.0
  P  P12  1  0.250  0.678  0.973  1.0
  P  P13  1  0.750  0.322  0.027  1.0
  P  P14  1  0.750  0.178  0.527  1.0
  P  P15  1  0.250  0.822  0.473  1.0
  P  P16  1  0.250  0.999  0.807  1.0
  P  P17  1  0.750  0.001  0.193  1.0
  P  P18  1  0.750  0.499  0.693  1.0
  P  P19  1  0.250  0.501  0.307  1.0
[/CIF]
.