The material structure described by Hf3Ga is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent Hf(1), four equivalent Hf(2), and four equivalent Ga(1) atoms to form distorted HfHf8Ga4 cuboctahedra that share corners with twelve equivalent Hf(1)Hf8Ga4 cuboctahedra, edges with eight equivalent Hf(1)Hf8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Hf12 cuboctahedra, faces with four equivalent Ga(1)Hf12 cuboctahedra, and faces with ten equivalent Hf(1)Hf8Ga4 cuboctahedra. In the second Hf site, Hf(2) is bonded in a distorted square co-planar geometry to eight equivalent Hf(1) and four equivalent Ga(1) atoms. Ga(1) is bonded to four equivalent Hf(2) and eight equivalent Hf(1) atoms to form GaHf12 cuboctahedra that share corners with four equivalent Ga(1)Hf12 cuboctahedra, edges with eight equivalent Ga(1)Hf12 cuboctahedra, edges with sixteen equivalent Hf(1)Hf8Ga4 cuboctahedra, faces with four equivalent Ga(1)Hf12 cuboctahedra, and faces with eight equivalent Hf(1)Hf8Ga4 cuboctahedra. is represented by the CIF file [CIF]
data_Hf3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.470
_cell_length_b   5.470
_cell_length_c   5.470
_cell_angle_alpha   134.776
_cell_angle_beta   134.776
_cell_angle_gamma   65.878
_symmetry_Int_Tables_number   1
_cell_volume   81.205
_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  0.750  0.250  0.500  1.0
  Hf  Hf1  1  0.250  0.750  0.500  1.0
  Hf  Hf2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Hf3Ga is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent Hf(1), four equivalent Hf(2), and four equivalent Ga(1) atoms to form distorted HfHf8Ga4 cuboctahedra that share corners with twelve equivalent Hf(1)Hf8Ga4 cuboctahedra, edges with eight equivalent Hf(1)Hf8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Hf12 cuboctahedra, faces with four equivalent Ga(1)Hf12 cuboctahedra, and faces with ten equivalent Hf(1)Hf8Ga4 cuboctahedra. In the second Hf site, Hf(2) is bonded in a distorted square co-planar geometry to eight equivalent Hf(1) and four equivalent Ga(1) atoms. Ga(1) is bonded to four equivalent Hf(2) and eight equivalent Hf(1) atoms to form GaHf12 cuboctahedra that share corners with four equivalent Ga(1)Hf12 cuboctahedra, edges with eight equivalent Ga(1)Hf12 cuboctahedra, edges with sixteen equivalent Hf(1)Hf8Ga4 cuboctahedra, faces with four equivalent Ga(1)Hf12 cuboctahedra, and faces with eight equivalent Hf(1)Hf8Ga4 cuboctahedra. is represented by the CIF file [CIF]
data_Hf3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.470
_cell_length_b   5.470
_cell_length_c   5.470
_cell_angle_alpha   134.776
_cell_angle_beta   134.776
_cell_angle_gamma   65.878
_symmetry_Int_Tables_number   1
_cell_volume   81.205
_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  0.750  0.250  0.500  1.0
  Hf  Hf1  1  0.250  0.750  0.500  1.0
  Hf  Hf2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
[/CIF]
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