The crystal structure described by Hf2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to three equivalent Sb(1) and three equivalent P(1) atoms to form a mixture of face, corner, and edge-sharing HfSb3P3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. Sb(1) is bonded to six equivalent Hf(1) atoms to form distorted SbHf6 pentagonal pyramids that share corners with six equivalent P(1)Hf6 octahedra, edges with six equivalent P(1)Hf6 octahedra, and edges with six equivalent Sb(1)Hf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 10°. P(1) is bonded to six equivalent Hf(1) atoms to form PHf6 octahedra that share corners with six equivalent Sb(1)Hf6 pentagonal pyramids, edges with six equivalent P(1)Hf6 octahedra, and edges with six equivalent Sb(1)Hf6 pentagonal pyramids. is represented by the CIF card [CIF]
data_Hf2SbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.802
_cell_length_b   3.802
_cell_length_c   13.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   163.713
_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  0.667  0.333  0.898  1.0
  Hf  Hf1  1  0.333  0.667  0.398  1.0
  Hf  Hf2  1  0.667  0.333  0.602  1.0
  Hf  Hf3  1  0.333  0.667  0.102  1.0
  Sb  Sb4  1  0.333  0.667  0.750  1.0
  Sb  Sb5  1  0.667  0.333  0.250  1.0
  P  P6  1  0.000  0.000  0.000  1.0
  P  P7  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Hf2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to three equivalent Sb(1) and three equivalent P(1) atoms to form a mixture of face, corner, and edge-sharing HfSb3P3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. Sb(1) is bonded to six equivalent Hf(1) atoms to form distorted SbHf6 pentagonal pyramids that share corners with six equivalent P(1)Hf6 octahedra, edges with six equivalent P(1)Hf6 octahedra, and edges with six equivalent Sb(1)Hf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 10°. P(1) is bonded to six equivalent Hf(1) atoms to form PHf6 octahedra that share corners with six equivalent Sb(1)Hf6 pentagonal pyramids, edges with six equivalent P(1)Hf6 octahedra, and edges with six equivalent Sb(1)Hf6 pentagonal pyramids. is represented by the CIF card [CIF]
data_Hf2SbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.802
_cell_length_b   3.802
_cell_length_c   13.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   163.713
_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  0.667  0.333  0.898  1.0
  Hf  Hf1  1  0.333  0.667  0.398  1.0
  Hf  Hf2  1  0.667  0.333  0.602  1.0
  Hf  Hf3  1  0.333  0.667  0.102  1.0
  Sb  Sb4  1  0.333  0.667  0.750  1.0
  Sb  Sb5  1  0.667  0.333  0.250  1.0
  P  P6  1  0.000  0.000  0.000  1.0
  P  P7  1  0.000  0.000  0.500  1.0
[/CIF]
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