The material structure described by Mg5Ga crystallizes in the monoclinic Cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), three equivalent Mg(5), and two equivalent Ga(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Ga(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(5), three equivalent Mg(4), and two equivalent Ga(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(3), and one Ga(1) atom to form distorted MgMg11Ga cuboctahedra that share corners with six equivalent Mg(4)Mg11Ga cuboctahedra, edges with six equivalent Mg(5)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg11Ga cuboctahedra, and faces with three equivalent Mg(5)Mg10Ga2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(1), and two equivalent Ga(1) atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with six equivalent Mg(5)Mg10Ga2 cuboctahedra, edges with six equivalent Mg(4)Mg11Ga cuboctahedra, faces with two equivalent Mg(5)Mg10Ga2 cuboctahedra, and faces with three equivalent Mg(4)Mg11Ga cuboctahedra. Ga(1) is bonded in a 10-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), and three equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg5Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   5.890
_cell_length_c   7.201
_cell_angle_alpha   74.970
_cell_angle_beta   74.970
_cell_angle_gamma   31.726
_symmetry_Int_Tables_number   1
_cell_volume   126.483
_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  0.003  0.003  0.018  1.0
  Mg  Mg1  1  0.320  0.320  0.336  1.0
  Mg  Mg2  1  0.953  0.953  0.588  1.0
  Mg  Mg3  1  0.665  0.665  0.672  1.0
  Mg  Mg4  1  0.281  0.281  0.945  1.0
  Ga  Ga5  1  0.612  0.612  0.275  1.0
[/CIF]
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The material structure described by Mg5Ga crystallizes in the monoclinic Cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), three equivalent Mg(5), and two equivalent Ga(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Ga(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(5), three equivalent Mg(4), and two equivalent Ga(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(3), and one Ga(1) atom to form distorted MgMg11Ga cuboctahedra that share corners with six equivalent Mg(4)Mg11Ga cuboctahedra, edges with six equivalent Mg(5)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg11Ga cuboctahedra, and faces with three equivalent Mg(5)Mg10Ga2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(1), and two equivalent Ga(1) atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with six equivalent Mg(5)Mg10Ga2 cuboctahedra, edges with six equivalent Mg(4)Mg11Ga cuboctahedra, faces with two equivalent Mg(5)Mg10Ga2 cuboctahedra, and faces with three equivalent Mg(4)Mg11Ga cuboctahedra. Ga(1) is bonded in a 10-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), and three equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg5Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   5.890
_cell_length_c   7.201
_cell_angle_alpha   74.970
_cell_angle_beta   74.970
_cell_angle_gamma   31.726
_symmetry_Int_Tables_number   1
_cell_volume   126.483
_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  0.003  0.003  0.018  1.0
  Mg  Mg1  1  0.320  0.320  0.336  1.0
  Mg  Mg2  1  0.953  0.953  0.588  1.0
  Mg  Mg3  1  0.665  0.665  0.672  1.0
  Mg  Mg4  1  0.281  0.281  0.945  1.0
  Ga  Ga5  1  0.612  0.612  0.275  1.0
[/CIF]
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