The material described by HfZnAl2 is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to four equivalent Zn(1) and eight equivalent Al(1) atoms to form HfAl8Zn4 cuboctahedra that share corners with twelve equivalent Hf(1)Al8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Hf4Al8 cuboctahedra, edges with sixteen equivalent Al(1)Hf4Al4Zn4 cuboctahedra, faces with four equivalent Zn(1)Hf4Al8 cuboctahedra, faces with six equivalent Hf(1)Al8Zn4 cuboctahedra, and faces with eight equivalent Al(1)Hf4Al4Zn4 cuboctahedra. Zn(1) is bonded to four equivalent Hf(1) and eight equivalent Al(1) atoms to form ZnHf4Al8 cuboctahedra that share corners with twelve equivalent Zn(1)Hf4Al8 cuboctahedra, edges with eight equivalent Hf(1)Al8Zn4 cuboctahedra, edges with sixteen equivalent Al(1)Hf4Al4Zn4 cuboctahedra, faces with four equivalent Hf(1)Al8Zn4 cuboctahedra, faces with six equivalent Zn(1)Hf4Al8 cuboctahedra, and faces with eight equivalent Al(1)Hf4Al4Zn4 cuboctahedra. Al(1) is bonded to four equivalent Hf(1), four equivalent Zn(1), and four equivalent Al(1) atoms to form AlHf4Al4Zn4 cuboctahedra that share corners with twelve equivalent Al(1)Hf4Al4Zn4 cuboctahedra, edges with eight equivalent Hf(1)Al8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Hf4Al8 cuboctahedra, edges with eight equivalent Al(1)Hf4Al4Zn4 cuboctahedra, faces with four equivalent Hf(1)Al8Zn4 cuboctahedra, faces with four equivalent Zn(1)Hf4Al8 cuboctahedra, and faces with ten equivalent Al(1)Hf4Al4Zn4 cuboctahedra. is represented by the CIF file [CIF]
data_HfAl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.039
_cell_length_b   4.039
_cell_length_c   3.998
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   65.218
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by HfZnAl2 is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to four equivalent Zn(1) and eight equivalent Al(1) atoms to form HfAl8Zn4 cuboctahedra that share corners with twelve equivalent Hf(1)Al8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Hf4Al8 cuboctahedra, edges with sixteen equivalent Al(1)Hf4Al4Zn4 cuboctahedra, faces with four equivalent Zn(1)Hf4Al8 cuboctahedra, faces with six equivalent Hf(1)Al8Zn4 cuboctahedra, and faces with eight equivalent Al(1)Hf4Al4Zn4 cuboctahedra. Zn(1) is bonded to four equivalent Hf(1) and eight equivalent Al(1) atoms to form ZnHf4Al8 cuboctahedra that share corners with twelve equivalent Zn(1)Hf4Al8 cuboctahedra, edges with eight equivalent Hf(1)Al8Zn4 cuboctahedra, edges with sixteen equivalent Al(1)Hf4Al4Zn4 cuboctahedra, faces with four equivalent Hf(1)Al8Zn4 cuboctahedra, faces with six equivalent Zn(1)Hf4Al8 cuboctahedra, and faces with eight equivalent Al(1)Hf4Al4Zn4 cuboctahedra. Al(1) is bonded to four equivalent Hf(1), four equivalent Zn(1), and four equivalent Al(1) atoms to form AlHf4Al4Zn4 cuboctahedra that share corners with twelve equivalent Al(1)Hf4Al4Zn4 cuboctahedra, edges with eight equivalent Hf(1)Al8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Hf4Al8 cuboctahedra, edges with eight equivalent Al(1)Hf4Al4Zn4 cuboctahedra, faces with four equivalent Hf(1)Al8Zn4 cuboctahedra, faces with four equivalent Zn(1)Hf4Al8 cuboctahedra, and faces with ten equivalent Al(1)Hf4Al4Zn4 cuboctahedra. is represented by the CIF file [CIF]
data_HfAl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.039
_cell_length_b   4.039
_cell_length_c   3.998
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   65.218
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.500  0.500  0.000  1.0
[/CIF]
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