The structure described by HfP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form a mixture of edge, face, and corner-sharing HfP6 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. There are two inequivalent P sites. In the first P site, P(1) is bonded to six equivalent Hf(1) atoms to form a mixture of distorted edge and corner-sharing PHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P site, P(2) is bonded to six equivalent Hf(1) atoms to form a mixture of edge and corner-sharing PHf6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.658
_cell_length_b   3.658
_cell_length_c   12.342
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   143.044
_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  0.333  0.667  0.384  1.0
  Hf  Hf1  1  0.667  0.333  0.884  1.0
  Hf  Hf2  1  0.667  0.333  0.616  1.0
  Hf  Hf3  1  0.333  0.667  0.116  1.0
  P  P4  1  0.667  0.333  0.250  1.0
  P  P5  1  0.333  0.667  0.750  1.0
  P  P6  1  0.000  0.000  0.500  1.0
  P  P7  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by HfP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form a mixture of edge, face, and corner-sharing HfP6 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. There are two inequivalent P sites. In the first P site, P(1) is bonded to six equivalent Hf(1) atoms to form a mixture of distorted edge and corner-sharing PHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P site, P(2) is bonded to six equivalent Hf(1) atoms to form a mixture of edge and corner-sharing PHf6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.658
_cell_length_b   3.658
_cell_length_c   12.342
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   143.044
_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  0.333  0.667  0.384  1.0
  Hf  Hf1  1  0.667  0.333  0.884  1.0
  Hf  Hf2  1  0.667  0.333  0.616  1.0
  Hf  Hf3  1  0.333  0.667  0.116  1.0
  P  P4  1  0.667  0.333  0.250  1.0
  P  P5  1  0.333  0.667  0.750  1.0
  P  P6  1  0.000  0.000  0.500  1.0
  P  P7  1  0.000  0.000  0.000  1.0
[/CIF]
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