The compound described by Mg6GaBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ga(1), and two equivalent Bi(1) atoms to form distorted MgMg6Ga2Bi2 cuboctahedra that share corners with two equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with two equivalent Mg(3)Mg10Ga2 cuboctahedra, corners with six equivalent Ga(1)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Ga2 cuboctahedra, corners with eight equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(3)Mg10Ga2 cuboctahedra, edges with two equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Ga2 cuboctahedra, and faces with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ga(1), and two equivalent Bi(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ga(1) atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, corners with six equivalent Mg(3)Mg10Ga2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, edges with four equivalent Ga(1)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Bi2 cuboctahedra, faces with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, and faces with six equivalent Bi(1)Mg10Ga2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Ga2 cuboctahedra, corners with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(3)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, edges with four equivalent Bi(1)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Ga2 cuboctahedra, faces with two equivalent Bi(1)Mg10Ga2 cuboctahedra, faces with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, and faces with six equivalent Ga(1)Mg10Bi2 cuboctahedra. Ga(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Bi(1) atoms to form GaMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)Mg10Ga2 cuboctahedra, corners with six equivalent Ga(1)Mg10Bi2 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(3)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(3)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Ga2 cuboctahedra, faces with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ga(1) atoms to form BiMg10Ga2 cuboctahedra that share corners with four equivalent Ga(1)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Ga2 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, edges with two equivalent Ga(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Ga(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Ga2 cuboctahedra, faces with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, and faces with six equivalent Mg(3)Mg10Ga2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.254
_cell_length_b   6.337
_cell_length_c   6.337
_cell_angle_alpha   117.578
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.040
_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
  Bi  Bi0  1  0.500  0.667  0.333  1.0
  Ga  Ga1  1  0.500  0.168  0.832  1.0
  Mg  Mg2  1  0.500  0.167  0.335  1.0
  Mg  Mg3  1  0.500  0.665  0.833  1.0
  Mg  Mg4  1  0.000  0.324  0.158  1.0
  Mg  Mg5  1  1.000  0.842  0.676  1.0
  Mg  Mg6  1  0.000  0.331  0.669  1.0
  Mg  Mg7  1  0.000  0.836  0.164  1.0
[/CIF]
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The compound described by Mg6GaBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ga(1), and two equivalent Bi(1) atoms to form distorted MgMg6Ga2Bi2 cuboctahedra that share corners with two equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with two equivalent Mg(3)Mg10Ga2 cuboctahedra, corners with six equivalent Ga(1)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Ga2 cuboctahedra, corners with eight equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(3)Mg10Ga2 cuboctahedra, edges with two equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Ga2 cuboctahedra, and faces with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ga(1), and two equivalent Bi(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ga(1) atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, corners with six equivalent Mg(3)Mg10Ga2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, edges with four equivalent Ga(1)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Bi2 cuboctahedra, faces with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, and faces with six equivalent Bi(1)Mg10Ga2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Ga2 cuboctahedra, corners with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(3)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, edges with four equivalent Bi(1)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(3)Mg10Ga2 cuboctahedra, faces with two equivalent Bi(1)Mg10Ga2 cuboctahedra, faces with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, and faces with six equivalent Ga(1)Mg10Bi2 cuboctahedra. Ga(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Bi(1) atoms to form GaMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)Mg10Ga2 cuboctahedra, corners with six equivalent Ga(1)Mg10Bi2 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(3)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(3)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Ga2 cuboctahedra, faces with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ga(1) atoms to form BiMg10Ga2 cuboctahedra that share corners with four equivalent Ga(1)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Ga2 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, edges with two equivalent Ga(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Ga(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Ga2 cuboctahedra, faces with four equivalent Mg(1)Mg6Ga2Bi2 cuboctahedra, and faces with six equivalent Mg(3)Mg10Ga2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.254
_cell_length_b   6.337
_cell_length_c   6.337
_cell_angle_alpha   117.578
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.040
_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
  Bi  Bi0  1  0.500  0.667  0.333  1.0
  Ga  Ga1  1  0.500  0.168  0.832  1.0
  Mg  Mg2  1  0.500  0.167  0.335  1.0
  Mg  Mg3  1  0.500  0.665  0.833  1.0
  Mg  Mg4  1  0.000  0.324  0.158  1.0
  Mg  Mg5  1  1.000  0.842  0.676  1.0
  Mg  Mg6  1  0.000  0.331  0.669  1.0
  Mg  Mg7  1  0.000  0.836  0.164  1.0
[/CIF]
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