The crystal structure described by MgGa5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six Ga(1,1,1) and six equivalent Ga(2) atoms to form MgGa12 cuboctahedra that share corners with six equivalent Mg(1)Ga12 cuboctahedra; corners with twelve equivalent Ga(2)Mg3Ga9 cuboctahedra; edges with six equivalent Mg(1)Ga12 cuboctahedra; edges with twelve Ga(1,1,1)Mg2Ga10 cuboctahedra; faces with eight equivalent Ga(2)Mg3Ga9 cuboctahedra; and faces with twelve Ga(1,1,1)Mg2Ga10 cuboctahedra. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Mg(1), four equivalent Ga(2), and six equivalent Ga(1) atoms to form distorted GaMg2Ga10 cuboctahedra that share corners with eighteen Ga(1,1,1)Mg2Ga10 cuboctahedra; edges with four equivalent Mg(1)Ga12 cuboctahedra; edges with six equivalent Ga(1)Mg2Ga10 cuboctahedra; edges with eight equivalent Ga(2)Mg3Ga9 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; faces with eight equivalent Ga(1)Mg2Ga10 cuboctahedra; and faces with eight equivalent Ga(2)Mg3Ga9 cuboctahedra. In the second Ga site, Ga(2) is bonded to three equivalent Mg(1); three equivalent Ga(2); and six Ga(1,1,1) atoms to form distorted GaMg3Ga9 cuboctahedra that share corners with six equivalent Mg(1)Ga12 cuboctahedra; corners with twelve equivalent Ga(2)Mg3Ga9 cuboctahedra; edges with six equivalent Ga(2)Mg3Ga9 cuboctahedra; edges with twelve Ga(1,1,1)Mg2Ga10 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; faces with four equivalent Ga(2)Mg3Ga9 cuboctahedra; and faces with twelve Ga(1,1,1)Mg2Ga10 cuboctahedra. In the third Ga site, Ga(1) is bonded to two equivalent Mg(1); four equivalent Ga(2); and six Ga(1,1) atoms to form distorted GaMg2Ga10 cuboctahedra that share corners with eighteen Ga(1,1,1)Mg2Ga10 cuboctahedra; edges with four equivalent Mg(1)Ga12 cuboctahedra; edges with six equivalent Ga(1)Mg2Ga10 cuboctahedra; edges with eight equivalent Ga(2)Mg3Ga9 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; faces with eight Ga(1,1,1)Mg2Ga10 cuboctahedra; and faces with eight equivalent Ga(2)Mg3Ga9 cuboctahedra. In the fourth Ga site, Ga(1) is bonded to two equivalent Mg(1), four equivalent Ga(2), and six equivalent Ga(1) atoms to form distorted GaMg2Ga10 cuboctahedra that share corners with eighteen Ga(1,1,1)Mg2Ga10 cuboctahedra; edges with four equivalent Mg(1)Ga12 cuboctahedra; edges with six equivalent Ga(1)Mg2Ga10 cuboctahedra; edges with eight equivalent Ga(2)Mg3Ga9 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; faces with eight equivalent Ga(1)Mg2Ga10 cuboctahedra; and faces with eight equivalent Ga(2)Mg3Ga9 cuboctahedra. In the fifth Ga site, Ga(1) is bonded to two equivalent Mg(1), four equivalent Ga(2), and six equivalent Ga(1) atoms to form distorted GaMg2Ga10 cuboctahedra that share corners with eighteen Ga(1,1,1)Mg2Ga10 cuboctahedra; edges with four equivalent Mg(1)Ga12 cuboctahedra; edges with six equivalent Ga(1)Mg2Ga10 cuboctahedra; edges with eight equivalent Ga(2)Mg3Ga9 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; faces with eight equivalent Ga(1)Mg2Ga10 cuboctahedra; and faces with eight equivalent Ga(2)Mg3Ga9 cuboctahedra. is represented by the CIF card [CIF]
data_MgGa5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   5.608
_cell_length_c   5.608
_cell_angle_alpha   54.511
_cell_angle_beta   54.511
_cell_angle_gamma   54.511
_symmetry_Int_Tables_number   1
_cell_volume   108.735
_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  0.500  0.500  0.500  1.0
  Ga  Ga1  1  0.337  0.000  0.663  1.0
  Ga  Ga2  1  0.157  0.157  0.157  1.0
  Ga  Ga3  1  0.663  0.337  0.000  1.0
  Ga  Ga4  1  0.000  0.663  0.337  1.0
  Ga  Ga5  1  0.843  0.843  0.843  1.0
[/CIF]
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The crystal structure described by MgGa5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six Ga(1,1,1) and six equivalent Ga(2) atoms to form MgGa12 cuboctahedra that share corners with six equivalent Mg(1)Ga12 cuboctahedra; corners with twelve equivalent Ga(2)Mg3Ga9 cuboctahedra; edges with six equivalent Mg(1)Ga12 cuboctahedra; edges with twelve Ga(1,1,1)Mg2Ga10 cuboctahedra; faces with eight equivalent Ga(2)Mg3Ga9 cuboctahedra; and faces with twelve Ga(1,1,1)Mg2Ga10 cuboctahedra. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Mg(1), four equivalent Ga(2), and six equivalent Ga(1) atoms to form distorted GaMg2Ga10 cuboctahedra that share corners with eighteen Ga(1,1,1)Mg2Ga10 cuboctahedra; edges with four equivalent Mg(1)Ga12 cuboctahedra; edges with six equivalent Ga(1)Mg2Ga10 cuboctahedra; edges with eight equivalent Ga(2)Mg3Ga9 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; faces with eight equivalent Ga(1)Mg2Ga10 cuboctahedra; and faces with eight equivalent Ga(2)Mg3Ga9 cuboctahedra. In the second Ga site, Ga(2) is bonded to three equivalent Mg(1); three equivalent Ga(2); and six Ga(1,1,1) atoms to form distorted GaMg3Ga9 cuboctahedra that share corners with six equivalent Mg(1)Ga12 cuboctahedra; corners with twelve equivalent Ga(2)Mg3Ga9 cuboctahedra; edges with six equivalent Ga(2)Mg3Ga9 cuboctahedra; edges with twelve Ga(1,1,1)Mg2Ga10 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; faces with four equivalent Ga(2)Mg3Ga9 cuboctahedra; and faces with twelve Ga(1,1,1)Mg2Ga10 cuboctahedra. In the third Ga site, Ga(1) is bonded to two equivalent Mg(1); four equivalent Ga(2); and six Ga(1,1) atoms to form distorted GaMg2Ga10 cuboctahedra that share corners with eighteen Ga(1,1,1)Mg2Ga10 cuboctahedra; edges with four equivalent Mg(1)Ga12 cuboctahedra; edges with six equivalent Ga(1)Mg2Ga10 cuboctahedra; edges with eight equivalent Ga(2)Mg3Ga9 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; faces with eight Ga(1,1,1)Mg2Ga10 cuboctahedra; and faces with eight equivalent Ga(2)Mg3Ga9 cuboctahedra. In the fourth Ga site, Ga(1) is bonded to two equivalent Mg(1), four equivalent Ga(2), and six equivalent Ga(1) atoms to form distorted GaMg2Ga10 cuboctahedra that share corners with eighteen Ga(1,1,1)Mg2Ga10 cuboctahedra; edges with four equivalent Mg(1)Ga12 cuboctahedra; edges with six equivalent Ga(1)Mg2Ga10 cuboctahedra; edges with eight equivalent Ga(2)Mg3Ga9 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; faces with eight equivalent Ga(1)Mg2Ga10 cuboctahedra; and faces with eight equivalent Ga(2)Mg3Ga9 cuboctahedra. In the fifth Ga site, Ga(1) is bonded to two equivalent Mg(1), four equivalent Ga(2), and six equivalent Ga(1) atoms to form distorted GaMg2Ga10 cuboctahedra that share corners with eighteen Ga(1,1,1)Mg2Ga10 cuboctahedra; edges with four equivalent Mg(1)Ga12 cuboctahedra; edges with six equivalent Ga(1)Mg2Ga10 cuboctahedra; edges with eight equivalent Ga(2)Mg3Ga9 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; faces with eight equivalent Ga(1)Mg2Ga10 cuboctahedra; and faces with eight equivalent Ga(2)Mg3Ga9 cuboctahedra. is represented by the CIF card [CIF]
data_MgGa5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   5.608
_cell_length_c   5.608
_cell_angle_alpha   54.511
_cell_angle_beta   54.511
_cell_angle_gamma   54.511
_symmetry_Int_Tables_number   1
_cell_volume   108.735
_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  0.500  0.500  0.500  1.0
  Ga  Ga1  1  0.337  0.000  0.663  1.0
  Ga  Ga2  1  0.157  0.157  0.157  1.0
  Ga  Ga3  1  0.663  0.337  0.000  1.0
  Ga  Ga4  1  0.000  0.663  0.337  1.0
  Ga  Ga5  1  0.843  0.843  0.843  1.0
[/CIF]
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