The material described by HgGa3 crystallizes in the tetragonal I4/mmm space group. Hg(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form HgGa12 cuboctahedra that share corners with four equivalent Hg(1)Ga12 cuboctahedra, edges with eight equivalent Hg(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(1)Ga8Hg4 cuboctahedra, faces with four equivalent Hg(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(1)Ga8Hg4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Hg(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaGa8Hg4 cuboctahedra that share corners with twelve equivalent Ga(1)Ga8Hg4 cuboctahedra, edges with eight equivalent Hg(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Ga8Hg4 cuboctahedra, faces with four equivalent Hg(1)Ga12 cuboctahedra, and faces with ten equivalent Ga(1)Ga8Hg4 cuboctahedra. In the second Ga site, Ga(2) is bonded in a square co-planar geometry to four equivalent Hg(1) and eight equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Ga3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.529
_cell_length_b   5.529
_cell_length_c   5.529
_cell_angle_alpha   134.875
_cell_angle_beta   134.875
_cell_angle_gamma   65.725
_symmetry_Int_Tables_number   1
_cell_volume   83.597
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by HgGa3 crystallizes in the tetragonal I4/mmm space group. Hg(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form HgGa12 cuboctahedra that share corners with four equivalent Hg(1)Ga12 cuboctahedra, edges with eight equivalent Hg(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(1)Ga8Hg4 cuboctahedra, faces with four equivalent Hg(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(1)Ga8Hg4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Hg(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaGa8Hg4 cuboctahedra that share corners with twelve equivalent Ga(1)Ga8Hg4 cuboctahedra, edges with eight equivalent Hg(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Ga8Hg4 cuboctahedra, faces with four equivalent Hg(1)Ga12 cuboctahedra, and faces with ten equivalent Ga(1)Ga8Hg4 cuboctahedra. In the second Ga site, Ga(2) is bonded in a square co-planar geometry to four equivalent Hg(1) and eight equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Ga3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.529
_cell_length_b   5.529
_cell_length_c   5.529
_cell_angle_alpha   134.875
_cell_angle_beta   134.875
_cell_angle_gamma   65.725
_symmetry_Int_Tables_number   1
_cell_volume   83.597
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
[/CIF]
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