The structure described by Hf3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to eight equivalent Hf(1) and four equivalent Al(1) atoms to form distorted HfHf8Al4 cuboctahedra that share corners with four equivalent Al(1)Hf12 cuboctahedra, corners with fourteen equivalent Hf(1)Hf8Al4 cuboctahedra, edges with six equivalent Al(1)Hf12 cuboctahedra, edges with twelve equivalent Hf(1)Hf8Al4 cuboctahedra, faces with four equivalent Al(1)Hf12 cuboctahedra, and faces with sixteen equivalent Hf(1)Hf8Al4 cuboctahedra. Al(1) is bonded to twelve equivalent Hf(1) atoms to form AlHf12 cuboctahedra that share corners with six equivalent Al(1)Hf12 cuboctahedra, corners with twelve equivalent Hf(1)Hf8Al4 cuboctahedra, edges with eighteen equivalent Hf(1)Hf8Al4 cuboctahedra, faces with eight equivalent Al(1)Hf12 cuboctahedra, and faces with twelve equivalent Hf(1)Hf8Al4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.128
_cell_length_b   6.128
_cell_length_c   4.967
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.500
_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  0.170  0.341  0.250  1.0
  Hf  Hf1  1  0.659  0.830  0.250  1.0
  Hf  Hf2  1  0.170  0.830  0.250  1.0
  Hf  Hf3  1  0.830  0.659  0.750  1.0
  Hf  Hf4  1  0.341  0.170  0.750  1.0
  Hf  Hf5  1  0.830  0.170  0.750  1.0
  Al  Al6  1  0.333  0.667  0.750  1.0
  Al  Al7  1  0.667  0.333  0.250  1.0
[/CIF]
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The structure described by Hf3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to eight equivalent Hf(1) and four equivalent Al(1) atoms to form distorted HfHf8Al4 cuboctahedra that share corners with four equivalent Al(1)Hf12 cuboctahedra, corners with fourteen equivalent Hf(1)Hf8Al4 cuboctahedra, edges with six equivalent Al(1)Hf12 cuboctahedra, edges with twelve equivalent Hf(1)Hf8Al4 cuboctahedra, faces with four equivalent Al(1)Hf12 cuboctahedra, and faces with sixteen equivalent Hf(1)Hf8Al4 cuboctahedra. Al(1) is bonded to twelve equivalent Hf(1) atoms to form AlHf12 cuboctahedra that share corners with six equivalent Al(1)Hf12 cuboctahedra, corners with twelve equivalent Hf(1)Hf8Al4 cuboctahedra, edges with eighteen equivalent Hf(1)Hf8Al4 cuboctahedra, faces with eight equivalent Al(1)Hf12 cuboctahedra, and faces with twelve equivalent Hf(1)Hf8Al4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.128
_cell_length_b   6.128
_cell_length_c   4.967
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.500
_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  0.170  0.341  0.250  1.0
  Hf  Hf1  1  0.659  0.830  0.250  1.0
  Hf  Hf2  1  0.170  0.830  0.250  1.0
  Hf  Hf3  1  0.830  0.659  0.750  1.0
  Hf  Hf4  1  0.341  0.170  0.750  1.0
  Hf  Hf5  1  0.830  0.170  0.750  1.0
  Al  Al6  1  0.333  0.667  0.750  1.0
  Al  Al7  1  0.667  0.333  0.250  1.0
[/CIF]
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