The structure described by HfNiGa5 crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form distorted HfGa12 cuboctahedra that share corners with four equivalent Hf(1)Ga12 cuboctahedra, faces with four equivalent Hf(1)Ga12 cuboctahedra, and faces with four equivalent Ga(2)Hf4Ga8 cuboctahedra. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to two equivalent Hf(1), two equivalent Ni(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Hf(1) and eight equivalent Ga(1) atoms to form GaHf4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Hf4Ga8 cuboctahedra, faces with four equivalent Hf(1)Ga12 cuboctahedra, and faces with four equivalent Ga(2)Hf4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_HfGa5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.208
_cell_length_b   4.208
_cell_length_c   6.502
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.122
_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
  Ga  Ga1  1  0.000  0.500  0.297  1.0
  Ga  Ga2  1  0.000  0.500  0.703  1.0
  Ga  Ga3  1  0.500  0.000  0.297  1.0
  Ga  Ga4  1  0.500  0.000  0.703  1.0
  Ga  Ga5  1  0.500  0.500  0.000  1.0
  Ni  Ni6  1  0.000  0.000  0.500  1.0
[/CIF]
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The structure described by HfNiGa5 crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form distorted HfGa12 cuboctahedra that share corners with four equivalent Hf(1)Ga12 cuboctahedra, faces with four equivalent Hf(1)Ga12 cuboctahedra, and faces with four equivalent Ga(2)Hf4Ga8 cuboctahedra. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to two equivalent Hf(1), two equivalent Ni(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Hf(1) and eight equivalent Ga(1) atoms to form GaHf4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Hf4Ga8 cuboctahedra, faces with four equivalent Hf(1)Ga12 cuboctahedra, and faces with four equivalent Ga(2)Hf4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_HfGa5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.208
_cell_length_b   4.208
_cell_length_c   6.502
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.122
_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
  Ga  Ga1  1  0.000  0.500  0.297  1.0
  Ga  Ga2  1  0.000  0.500  0.703  1.0
  Ga  Ga3  1  0.500  0.000  0.297  1.0
  Ga  Ga4  1  0.500  0.000  0.703  1.0
  Ga  Ga5  1  0.500  0.500  0.000  1.0
  Ni  Ni6  1  0.000  0.000  0.500  1.0
[/CIF]
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