The material structure described by HfZn2Ga crystallizes in the trigonal R3m space group. Hf(1) is bonded to six equivalent Hf(1), three equivalent Zn(1), and three equivalent Ga(1) atoms to form distorted HfHf6Zn3Ga3 cuboctahedra that share corners with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, corners with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, edges with six equivalent Zn(1)Hf3Zn9 cuboctahedra, edges with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, faces with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, faces with six equivalent Zn(1)Hf3Zn9 cuboctahedra, and faces with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent Hf(1), three equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted ZnHf3Zn9 cuboctahedra that share corners with six equivalent Zn(1)Hf3Zn9 cuboctahedra, corners with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, edges with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, edges with six equivalent Zn(1)Hf3Zn9 cuboctahedra, edges with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, faces with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, faces with six equivalent Zn(1)Hf3Zn9 cuboctahedra, and faces with six equivalent Zn(2)Zn9Ga3 cuboctahedra. In the second Zn site, Zn(2) is bonded to three equivalent Zn(1), six equivalent Zn(2), and three equivalent Ga(1) atoms to form distorted ZnZn9Ga3 cuboctahedra that share corners with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, corners with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, edges with six equivalent Zn(1)Hf3Zn9 cuboctahedra, edges with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, faces with six equivalent Zn(1)Hf3Zn9 cuboctahedra, faces with six equivalent Zn(2)Zn9Ga3 cuboctahedra, and faces with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra. Ga(1) is bonded to three equivalent Hf(1), three equivalent Zn(2), and six equivalent Ga(1) atoms to form distorted GaHf3Zn3Ga6 cuboctahedra that share corners with six equivalent Zn(1)Hf3Zn9 cuboctahedra, corners with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, edges with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, edges with six equivalent Zn(1)Hf3Zn9 cuboctahedra, edges with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, faces with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, faces with six equivalent Zn(2)Zn9Ga3 cuboctahedra, and faces with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfZn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.359
_cell_length_b   9.359
_cell_length_c   9.359
_cell_angle_alpha   18.382
_cell_angle_beta   18.382
_cell_angle_gamma   18.382
_symmetry_Int_Tables_number   1
_cell_volume   71.199
_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  0.751  0.751  0.751  1.0
  Zn  Zn1  1  0.505  0.505  0.505  1.0
  Zn  Zn2  1  0.248  0.248  0.248  1.0
  Ga  Ga3  1  0.997  0.997  0.997  1.0
[/CIF]
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The material structure described by HfZn2Ga crystallizes in the trigonal R3m space group. Hf(1) is bonded to six equivalent Hf(1), three equivalent Zn(1), and three equivalent Ga(1) atoms to form distorted HfHf6Zn3Ga3 cuboctahedra that share corners with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, corners with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, edges with six equivalent Zn(1)Hf3Zn9 cuboctahedra, edges with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, faces with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, faces with six equivalent Zn(1)Hf3Zn9 cuboctahedra, and faces with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent Hf(1), three equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted ZnHf3Zn9 cuboctahedra that share corners with six equivalent Zn(1)Hf3Zn9 cuboctahedra, corners with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, edges with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, edges with six equivalent Zn(1)Hf3Zn9 cuboctahedra, edges with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, faces with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, faces with six equivalent Zn(1)Hf3Zn9 cuboctahedra, and faces with six equivalent Zn(2)Zn9Ga3 cuboctahedra. In the second Zn site, Zn(2) is bonded to three equivalent Zn(1), six equivalent Zn(2), and three equivalent Ga(1) atoms to form distorted ZnZn9Ga3 cuboctahedra that share corners with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, corners with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, edges with six equivalent Zn(1)Hf3Zn9 cuboctahedra, edges with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, faces with six equivalent Zn(1)Hf3Zn9 cuboctahedra, faces with six equivalent Zn(2)Zn9Ga3 cuboctahedra, and faces with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra. Ga(1) is bonded to three equivalent Hf(1), three equivalent Zn(2), and six equivalent Ga(1) atoms to form distorted GaHf3Zn3Ga6 cuboctahedra that share corners with six equivalent Zn(1)Hf3Zn9 cuboctahedra, corners with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, edges with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, edges with six equivalent Zn(1)Hf3Zn9 cuboctahedra, edges with six equivalent Zn(2)Zn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra, faces with six equivalent Hf(1)Hf6Zn3Ga3 cuboctahedra, faces with six equivalent Zn(2)Zn9Ga3 cuboctahedra, and faces with six equivalent Ga(1)Hf3Zn3Ga6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfZn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.359
_cell_length_b   9.359
_cell_length_c   9.359
_cell_angle_alpha   18.382
_cell_angle_beta   18.382
_cell_angle_gamma   18.382
_symmetry_Int_Tables_number   1
_cell_volume   71.199
_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  0.751  0.751  0.751  1.0
  Zn  Zn1  1  0.505  0.505  0.505  1.0
  Zn  Zn2  1  0.248  0.248  0.248  1.0
  Ga  Ga3  1  0.997  0.997  0.997  1.0
[/CIF]
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