The material structure described by MgGa2 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to three equivalent Mg(1); three equivalent Ga(2); and six Ga(1,1) atoms to form distorted MgMg3Ga9 cuboctahedra that share corners with nine equivalent Mg(1)Mg3Ga9 cuboctahedra; corners with nine equivalent Ga(2)Mg6Ga6 cuboctahedra; edges with six equivalent Mg(1)Mg3Ga9 cuboctahedra; edges with twelve Ga(1,1)Mg4Ga8 cuboctahedra; faces with three equivalent Ga(2)Mg6Ga6 cuboctahedra; faces with five equivalent Mg(1)Mg3Ga9 cuboctahedra; and faces with twelve Ga(1,1)Mg4Ga8 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Mg(1), two equivalent Ga(2), and six equivalent Ga(1) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen equivalent Ga(1)Mg4Ga8 cuboctahedra; edges with four equivalent Ga(2)Mg6Ga6 cuboctahedra; edges with six equivalent Ga(1)Mg4Ga8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Ga9 cuboctahedra; faces with four equivalent Ga(2)Mg6Ga6 cuboctahedra; faces with eight equivalent Mg(1)Mg3Ga9 cuboctahedra; and faces with eight Ga(1,1)Mg4Ga8 cuboctahedra. In the second Ga site, Ga(1) is bonded to four equivalent Mg(1); two equivalent Ga(2); and six Ga(1,1) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen Ga(1,1)Mg4Ga8 cuboctahedra; edges with four equivalent Ga(2)Mg6Ga6 cuboctahedra; edges with six equivalent Ga(1)Mg4Ga8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Ga9 cuboctahedra; faces with four equivalent Ga(2)Mg6Ga6 cuboctahedra; faces with eight equivalent Mg(1)Mg3Ga9 cuboctahedra; and faces with eight Ga(1,1)Mg4Ga8 cuboctahedra. In the third Ga site, Ga(2) is bonded to six equivalent Mg(1) and six Ga(1,1) atoms to form distorted GaMg6Ga6 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg3Ga9 cuboctahedra; edges with six equivalent Ga(2)Mg6Ga6 cuboctahedra; edges with twelve Ga(1,1)Mg4Ga8 cuboctahedra; faces with two equivalent Ga(2)Mg6Ga6 cuboctahedra; faces with six equivalent Mg(1)Mg3Ga9 cuboctahedra; and faces with twelve Ga(1,1)Mg4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_MgGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.165
_cell_length_b   5.165
_cell_length_c   4.807
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   111.053
_cell_formula_units_Z   2
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  0.667  0.333  0.500  1.0
  Mg  Mg1  1  0.333  0.667  0.500  1.0
  Ga  Ga2  1  0.000  0.666  0.000  1.0
  Ga  Ga3  1  0.666  0.000  0.000  1.0
  Ga  Ga4  1  0.334  0.334  0.000  1.0
  Ga  Ga5  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by MgGa2 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to three equivalent Mg(1); three equivalent Ga(2); and six Ga(1,1) atoms to form distorted MgMg3Ga9 cuboctahedra that share corners with nine equivalent Mg(1)Mg3Ga9 cuboctahedra; corners with nine equivalent Ga(2)Mg6Ga6 cuboctahedra; edges with six equivalent Mg(1)Mg3Ga9 cuboctahedra; edges with twelve Ga(1,1)Mg4Ga8 cuboctahedra; faces with three equivalent Ga(2)Mg6Ga6 cuboctahedra; faces with five equivalent Mg(1)Mg3Ga9 cuboctahedra; and faces with twelve Ga(1,1)Mg4Ga8 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Mg(1), two equivalent Ga(2), and six equivalent Ga(1) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen equivalent Ga(1)Mg4Ga8 cuboctahedra; edges with four equivalent Ga(2)Mg6Ga6 cuboctahedra; edges with six equivalent Ga(1)Mg4Ga8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Ga9 cuboctahedra; faces with four equivalent Ga(2)Mg6Ga6 cuboctahedra; faces with eight equivalent Mg(1)Mg3Ga9 cuboctahedra; and faces with eight Ga(1,1)Mg4Ga8 cuboctahedra. In the second Ga site, Ga(1) is bonded to four equivalent Mg(1); two equivalent Ga(2); and six Ga(1,1) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen Ga(1,1)Mg4Ga8 cuboctahedra; edges with four equivalent Ga(2)Mg6Ga6 cuboctahedra; edges with six equivalent Ga(1)Mg4Ga8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Ga9 cuboctahedra; faces with four equivalent Ga(2)Mg6Ga6 cuboctahedra; faces with eight equivalent Mg(1)Mg3Ga9 cuboctahedra; and faces with eight Ga(1,1)Mg4Ga8 cuboctahedra. In the third Ga site, Ga(2) is bonded to six equivalent Mg(1) and six Ga(1,1) atoms to form distorted GaMg6Ga6 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg3Ga9 cuboctahedra; edges with six equivalent Ga(2)Mg6Ga6 cuboctahedra; edges with twelve Ga(1,1)Mg4Ga8 cuboctahedra; faces with two equivalent Ga(2)Mg6Ga6 cuboctahedra; faces with six equivalent Mg(1)Mg3Ga9 cuboctahedra; and faces with twelve Ga(1,1)Mg4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_MgGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.165
_cell_length_b   5.165
_cell_length_c   4.807
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   111.053
_cell_formula_units_Z   2
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  0.667  0.333  0.500  1.0
  Mg  Mg1  1  0.333  0.667  0.500  1.0
  Ga  Ga2  1  0.000  0.666  0.000  1.0
  Ga  Ga3  1  0.666  0.000  0.000  1.0
  Ga  Ga4  1  0.334  0.334  0.000  1.0
  Ga  Ga5  1  0.000  0.000  0.500  1.0
[/CIF]
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