The material structure described by HfPtAl crystallizes in the hexagonal P-62m space group. Hf(1) is bonded in a 5-coordinate geometry to one Pt(2) and four equivalent Pt(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Al(1) atoms. In the second Pt site, Pt(1) is bonded in a 9-coordinate geometry to six equivalent Hf(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 4-coordinate geometry to two equivalent Pt(1) and two equivalent Pt(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfAlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.964
_cell_length_b   6.738
_cell_length_c   6.738
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.863
_cell_formula_units_Z   3
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  0.000  0.584  0.000  1.0
  Hf  Hf1  1  0.000  0.416  0.416  1.0
  Hf  Hf2  1  0.000  1.000  0.584  1.0
  Al  Al3  1  0.500  0.248  0.000  1.0
  Al  Al4  1  0.500  0.752  0.752  1.0
  Al  Al5  1  0.500  1.000  0.248  1.0
  Pt  Pt6  1  0.500  0.333  0.667  1.0
  Pt  Pt7  1  0.500  0.667  0.333  1.0
  Pt  Pt8  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by HfPtAl crystallizes in the hexagonal P-62m space group. Hf(1) is bonded in a 5-coordinate geometry to one Pt(2) and four equivalent Pt(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Al(1) atoms. In the second Pt site, Pt(1) is bonded in a 9-coordinate geometry to six equivalent Hf(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 4-coordinate geometry to two equivalent Pt(1) and two equivalent Pt(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfAlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.964
_cell_length_b   6.738
_cell_length_c   6.738
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.863
_cell_formula_units_Z   3
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  0.000  0.584  0.000  1.0
  Hf  Hf1  1  0.000  0.416  0.416  1.0
  Hf  Hf2  1  0.000  1.000  0.584  1.0
  Al  Al3  1  0.500  0.248  0.000  1.0
  Al  Al4  1  0.500  0.752  0.752  1.0
  Al  Al5  1  0.500  1.000  0.248  1.0
  Pt  Pt6  1  0.500  0.333  0.667  1.0
  Pt  Pt7  1  0.500  0.667  0.333  1.0
  Pt  Pt8  1  0.000  0.000  0.000  1.0
[/CIF]
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