The material structure described by Hf7P4 crystallizes in the monoclinic C2/m space group. There are eight 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(4) atoms. In the second Hf site, Hf(2) is bonded to one P(1), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted corner, edge, and face-sharing HfP5 trigonal bipyramids. In the third Hf site, Hf(3) is bonded in a 5-coordinate geometry to two equivalent P(2) and three equivalent P(3) atoms. In the fourth Hf site, Hf(4) is bonded to one P(1), two equivalent P(2), and two equivalent P(4) atoms to form a mixture of distorted corner, edge, and face-sharing HfP5 trigonal bipyramids. In the fifth Hf site, Hf(5) is bonded in a 4-coordinate geometry to one P(2), one P(4), and two equivalent P(3) atoms. In the sixth Hf site, Hf(6) is bonded in a 4-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(4) atoms. In the seventh Hf site, Hf(7) is bonded in a square co-planar geometry to two equivalent P(2) and two equivalent P(3) atoms. In the eighth Hf site, Hf(8) is bonded in a distorted square co-planar geometry to two equivalent P(1) and two equivalent P(4) atoms. There are four inequivalent P sites. In the first P site, P(3) is bonded in a 9-coordinate geometry to one Hf(6), one Hf(7), two equivalent Hf(2), two equivalent Hf(5), and three equivalent Hf(3) atoms. In the second P site, P(4) is bonded in a 9-coordinate geometry to one Hf(5), one Hf(8), two equivalent Hf(4), two equivalent Hf(6), and three equivalent Hf(1) atoms. In the third P site, P(1) is bonded to one Hf(2), one Hf(4), one Hf(8), two equivalent Hf(1), and two equivalent Hf(6) atoms to form a mixture of distorted corner and edge-sharing PHf7 pentagonal bipyramids. In the fourth P site, P(2) is bonded in a 8-coordinate geometry to one Hf(5), one Hf(7), two equivalent Hf(2), two equivalent Hf(3), and two equivalent Hf(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf7P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.520
_cell_length_b   8.013
_cell_length_c   14.656
_cell_angle_alpha   104.113
_cell_angle_beta   90.000
_cell_angle_gamma   102.687
_symmetry_Int_Tables_number   1
_cell_volume   390.463
_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  0.339  0.678  0.030  1.0
  Hf  Hf1  1  0.661  0.322  0.970  1.0
  Hf  Hf2  1  0.003  0.006  0.669  1.0
  Hf  Hf3  1  0.997  0.994  0.331  1.0
  Hf  Hf4  1  0.177  0.354  0.541  1.0
  Hf  Hf5  1  0.823  0.646  0.459  1.0
  Hf  Hf6  1  0.795  0.590  0.203  1.0
  Hf  Hf7  1  0.205  0.410  0.797  1.0
  Hf  Hf8  1  0.803  0.607  0.689  1.0
  Hf  Hf9  1  0.197  0.393  0.311  1.0
  Hf  Hf10  1  0.570  0.140  0.167  1.0
  Hf  Hf11  1  0.430  0.860  0.833  1.0
  Hf  Hf12  1  0.500  0.000  0.500  1.0
  Hf  Hf13  1  0.000  0.000  0.000  1.0
  P  P14  1  0.937  0.875  0.147  1.0
  P  P15  1  0.063  0.125  0.853  1.0
  P  P16  1  0.630  0.259  0.661  1.0
  P  P17  1  0.370  0.741  0.339  1.0
  P  P18  1  0.625  0.251  0.401  1.0
  P  P19  1  0.375  0.749  0.599  1.0
  P  P20  1  0.822  0.644  0.889  1.0
  P  P21  1  0.178  0.356  0.111  1.0
[/CIF]
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The material structure described by Hf7P4 crystallizes in the monoclinic C2/m space group. There are eight 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(4) atoms. In the second Hf site, Hf(2) is bonded to one P(1), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted corner, edge, and face-sharing HfP5 trigonal bipyramids. In the third Hf site, Hf(3) is bonded in a 5-coordinate geometry to two equivalent P(2) and three equivalent P(3) atoms. In the fourth Hf site, Hf(4) is bonded to one P(1), two equivalent P(2), and two equivalent P(4) atoms to form a mixture of distorted corner, edge, and face-sharing HfP5 trigonal bipyramids. In the fifth Hf site, Hf(5) is bonded in a 4-coordinate geometry to one P(2), one P(4), and two equivalent P(3) atoms. In the sixth Hf site, Hf(6) is bonded in a 4-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(4) atoms. In the seventh Hf site, Hf(7) is bonded in a square co-planar geometry to two equivalent P(2) and two equivalent P(3) atoms. In the eighth Hf site, Hf(8) is bonded in a distorted square co-planar geometry to two equivalent P(1) and two equivalent P(4) atoms. There are four inequivalent P sites. In the first P site, P(3) is bonded in a 9-coordinate geometry to one Hf(6), one Hf(7), two equivalent Hf(2), two equivalent Hf(5), and three equivalent Hf(3) atoms. In the second P site, P(4) is bonded in a 9-coordinate geometry to one Hf(5), one Hf(8), two equivalent Hf(4), two equivalent Hf(6), and three equivalent Hf(1) atoms. In the third P site, P(1) is bonded to one Hf(2), one Hf(4), one Hf(8), two equivalent Hf(1), and two equivalent Hf(6) atoms to form a mixture of distorted corner and edge-sharing PHf7 pentagonal bipyramids. In the fourth P site, P(2) is bonded in a 8-coordinate geometry to one Hf(5), one Hf(7), two equivalent Hf(2), two equivalent Hf(3), and two equivalent Hf(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf7P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.520
_cell_length_b   8.013
_cell_length_c   14.656
_cell_angle_alpha   104.113
_cell_angle_beta   90.000
_cell_angle_gamma   102.687
_symmetry_Int_Tables_number   1
_cell_volume   390.463
_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  0.339  0.678  0.030  1.0
  Hf  Hf1  1  0.661  0.322  0.970  1.0
  Hf  Hf2  1  0.003  0.006  0.669  1.0
  Hf  Hf3  1  0.997  0.994  0.331  1.0
  Hf  Hf4  1  0.177  0.354  0.541  1.0
  Hf  Hf5  1  0.823  0.646  0.459  1.0
  Hf  Hf6  1  0.795  0.590  0.203  1.0
  Hf  Hf7  1  0.205  0.410  0.797  1.0
  Hf  Hf8  1  0.803  0.607  0.689  1.0
  Hf  Hf9  1  0.197  0.393  0.311  1.0
  Hf  Hf10  1  0.570  0.140  0.167  1.0
  Hf  Hf11  1  0.430  0.860  0.833  1.0
  Hf  Hf12  1  0.500  0.000  0.500  1.0
  Hf  Hf13  1  0.000  0.000  0.000  1.0
  P  P14  1  0.937  0.875  0.147  1.0
  P  P15  1  0.063  0.125  0.853  1.0
  P  P16  1  0.630  0.259  0.661  1.0
  P  P17  1  0.370  0.741  0.339  1.0
  P  P18  1  0.625  0.251  0.401  1.0
  P  P19  1  0.375  0.749  0.599  1.0
  P  P20  1  0.822  0.644  0.889  1.0
  P  P21  1  0.178  0.356  0.111  1.0
[/CIF]
.