The compound described by MgGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Ga(1) and eight equivalent Ga(2) atoms to form MgGa12 cuboctahedra that share corners with four equivalent Mg(1)Ga12 cuboctahedra, corners with eight equivalent Ga(1)Mg4Ga8 cuboctahedra, edges with eight equivalent Mg(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Mg(1)Ga12 cuboctahedra, faces with six equivalent Ga(1)Mg4Ga8 cuboctahedra, and faces with eight equivalent Ga(2)Mg4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Mg(1) and eight equivalent Ga(2) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with four equivalent Ga(1)Mg4Ga8 cuboctahedra, corners with eight equivalent Mg(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Mg4Ga8 cuboctahedra, edges with sixteen equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Ga(1)Mg4Ga8 cuboctahedra, faces with six equivalent Mg(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(2)Mg4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Mg(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with twelve equivalent Ga(2)Mg4Ga8 cuboctahedra, edges with eight equivalent Mg(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Mg4Ga8 cuboctahedra, edges with eight equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Mg(1)Ga12 cuboctahedra, faces with four equivalent Ga(1)Mg4Ga8 cuboctahedra, and faces with ten equivalent Ga(2)Mg4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_MgGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.137
_cell_length_c   5.137
_cell_angle_alpha   132.936
_cell_angle_beta   132.936
_cell_angle_gamma   68.755
_symmetry_Int_Tables_number   1
_cell_volume   71.350
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.750  0.250  0.500  1.0
  Ga  Ga3  1  0.250  0.750  0.500  1.0
[/CIF]
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The compound described by MgGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Ga(1) and eight equivalent Ga(2) atoms to form MgGa12 cuboctahedra that share corners with four equivalent Mg(1)Ga12 cuboctahedra, corners with eight equivalent Ga(1)Mg4Ga8 cuboctahedra, edges with eight equivalent Mg(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Mg(1)Ga12 cuboctahedra, faces with six equivalent Ga(1)Mg4Ga8 cuboctahedra, and faces with eight equivalent Ga(2)Mg4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Mg(1) and eight equivalent Ga(2) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with four equivalent Ga(1)Mg4Ga8 cuboctahedra, corners with eight equivalent Mg(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Mg4Ga8 cuboctahedra, edges with sixteen equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Ga(1)Mg4Ga8 cuboctahedra, faces with six equivalent Mg(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(2)Mg4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Mg(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with twelve equivalent Ga(2)Mg4Ga8 cuboctahedra, edges with eight equivalent Mg(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Mg4Ga8 cuboctahedra, edges with eight equivalent Ga(2)Mg4Ga8 cuboctahedra, faces with four equivalent Mg(1)Ga12 cuboctahedra, faces with four equivalent Ga(1)Mg4Ga8 cuboctahedra, and faces with ten equivalent Ga(2)Mg4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_MgGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.137
_cell_length_c   5.137
_cell_angle_alpha   132.936
_cell_angle_beta   132.936
_cell_angle_gamma   68.755
_symmetry_Int_Tables_number   1
_cell_volume   71.350
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.750  0.250  0.500  1.0
  Ga  Ga3  1  0.250  0.750  0.500  1.0
[/CIF]
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