The compound described by MgGa crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four Mg(2,2); two equivalent Ga(2); and six equivalent Ga(1) atoms to form distorted MgMg4Ga8 cuboctahedra that share edges with four equivalent Ga(2)Mg8Ga4 cuboctahedra, edges with six equivalent Mg(1)Mg4Ga8 cuboctahedra, faces with two equivalent Mg(1)Mg4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Mg8Ga4 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), three equivalent Ga(2), and four equivalent Ga(1) atoms. In the third Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1); three Mg(2,2); three equivalent Ga(2); and four equivalent Ga(1) atoms. In the fourth Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), three equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1); four Mg(2,2); and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to two equivalent Mg(1); six Mg(2,2,2); and four equivalent Ga(1) atoms to form distorted GaMg8Ga4 cuboctahedra that share edges with four equivalent Mg(1)Mg4Ga8 cuboctahedra, edges with six equivalent Ga(2)Mg8Ga4 cuboctahedra, faces with two equivalent Ga(2)Mg8Ga4 cuboctahedra, and faces with four equivalent Mg(1)Mg4Ga8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   5.392
_cell_length_c   4.788
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.363
_symmetry_Int_Tables_number   1
_cell_volume   118.862
_cell_formula_units_Z   3
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  0.657  0.657  0.000  1.0
  Mg  Mg1  1  0.012  0.672  0.500  1.0
  Mg  Mg2  1  0.672  0.012  0.500  1.0
  Ga  Ga3  1  0.995  0.328  0.000  1.0
  Ga  Ga4  1  0.328  0.995  0.000  1.0
  Ga  Ga5  1  0.337  0.337  0.500  1.0
[/CIF]
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The compound described by MgGa crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four Mg(2,2); two equivalent Ga(2); and six equivalent Ga(1) atoms to form distorted MgMg4Ga8 cuboctahedra that share edges with four equivalent Ga(2)Mg8Ga4 cuboctahedra, edges with six equivalent Mg(1)Mg4Ga8 cuboctahedra, faces with two equivalent Mg(1)Mg4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Mg8Ga4 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), three equivalent Ga(2), and four equivalent Ga(1) atoms. In the third Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1); three Mg(2,2); three equivalent Ga(2); and four equivalent Ga(1) atoms. In the fourth Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), three equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1); four Mg(2,2); and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to two equivalent Mg(1); six Mg(2,2,2); and four equivalent Ga(1) atoms to form distorted GaMg8Ga4 cuboctahedra that share edges with four equivalent Mg(1)Mg4Ga8 cuboctahedra, edges with six equivalent Ga(2)Mg8Ga4 cuboctahedra, faces with two equivalent Ga(2)Mg8Ga4 cuboctahedra, and faces with four equivalent Mg(1)Mg4Ga8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   5.392
_cell_length_c   4.788
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.363
_symmetry_Int_Tables_number   1
_cell_volume   118.862
_cell_formula_units_Z   3
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  0.657  0.657  0.000  1.0
  Mg  Mg1  1  0.012  0.672  0.500  1.0
  Mg  Mg2  1  0.672  0.012  0.500  1.0
  Ga  Ga3  1  0.995  0.328  0.000  1.0
  Ga  Ga4  1  0.328  0.995  0.000  1.0
  Ga  Ga5  1  0.337  0.337  0.500  1.0
[/CIF]
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