The compound described by Mg3Bi crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), six equivalent Mg(2), and four equivalent Bi(1) atoms to form distorted MgMg8Bi4 cuboctahedra that share corners with four equivalent Bi(1)Mg10Bi2 cuboctahedra, corners with fourteen equivalent Mg(1)Mg8Bi4 cuboctahedra, edges with two equivalent Mg(1)Mg8Bi4 cuboctahedra, edges with four equivalent Bi(1)Mg10Bi2 cuboctahedra, edges with twelve equivalent Mg(2)Mg9Bi3 cuboctahedra, faces with two equivalent Mg(1)Mg8Bi4 cuboctahedra, faces with six equivalent Bi(1)Mg10Bi2 cuboctahedra, and faces with twelve equivalent Mg(2)Mg9Bi3 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(1), six equivalent Mg(2), and three equivalent Bi(1) atoms to form distorted MgMg9Bi3 cuboctahedra that share corners with eighteen equivalent Mg(2)Mg9Bi3 cuboctahedra, edges with six equivalent Mg(1)Mg8Bi4 cuboctahedra, edges with six equivalent Mg(2)Mg9Bi3 cuboctahedra, edges with six equivalent Bi(1)Mg10Bi2 cuboctahedra, faces with six equivalent Mg(1)Mg8Bi4 cuboctahedra, faces with six equivalent Bi(1)Mg10Bi2 cuboctahedra, and faces with eight equivalent Mg(2)Mg9Bi3 cuboctahedra. Bi(1) is bonded to four equivalent Mg(1), six equivalent Mg(2), and two equivalent Bi(1) atoms to form distorted BiMg10Bi2 cuboctahedra that share corners with four equivalent Mg(1)Mg8Bi4 cuboctahedra, corners with fourteen equivalent Bi(1)Mg10Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(1)Mg8Bi4 cuboctahedra, edges with twelve equivalent Mg(2)Mg9Bi3 cuboctahedra, faces with two equivalent Bi(1)Mg10Bi2 cuboctahedra, faces with six equivalent Mg(1)Mg8Bi4 cuboctahedra, and faces with twelve equivalent Mg(2)Mg9Bi3 cuboctahedra. is represented by the CIF card [CIF]
data_Mg3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.272
_cell_length_b   6.272
_cell_length_c   6.272
_cell_angle_alpha   149.613
_cell_angle_beta   125.500
_cell_angle_gamma   63.684
_symmetry_Int_Tables_number   1
_cell_volume   100.625
_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  0.167  0.500  0.667  1.0
  Mg  Mg1  1  0.247  0.248  0.999  1.0
  Mg  Mg2  1  0.751  0.752  0.999  1.0
  Bi  Bi3  1  0.669  0.000  0.669  1.0
[/CIF]
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The compound described by Mg3Bi crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), six equivalent Mg(2), and four equivalent Bi(1) atoms to form distorted MgMg8Bi4 cuboctahedra that share corners with four equivalent Bi(1)Mg10Bi2 cuboctahedra, corners with fourteen equivalent Mg(1)Mg8Bi4 cuboctahedra, edges with two equivalent Mg(1)Mg8Bi4 cuboctahedra, edges with four equivalent Bi(1)Mg10Bi2 cuboctahedra, edges with twelve equivalent Mg(2)Mg9Bi3 cuboctahedra, faces with two equivalent Mg(1)Mg8Bi4 cuboctahedra, faces with six equivalent Bi(1)Mg10Bi2 cuboctahedra, and faces with twelve equivalent Mg(2)Mg9Bi3 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(1), six equivalent Mg(2), and three equivalent Bi(1) atoms to form distorted MgMg9Bi3 cuboctahedra that share corners with eighteen equivalent Mg(2)Mg9Bi3 cuboctahedra, edges with six equivalent Mg(1)Mg8Bi4 cuboctahedra, edges with six equivalent Mg(2)Mg9Bi3 cuboctahedra, edges with six equivalent Bi(1)Mg10Bi2 cuboctahedra, faces with six equivalent Mg(1)Mg8Bi4 cuboctahedra, faces with six equivalent Bi(1)Mg10Bi2 cuboctahedra, and faces with eight equivalent Mg(2)Mg9Bi3 cuboctahedra. Bi(1) is bonded to four equivalent Mg(1), six equivalent Mg(2), and two equivalent Bi(1) atoms to form distorted BiMg10Bi2 cuboctahedra that share corners with four equivalent Mg(1)Mg8Bi4 cuboctahedra, corners with fourteen equivalent Bi(1)Mg10Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(1)Mg8Bi4 cuboctahedra, edges with twelve equivalent Mg(2)Mg9Bi3 cuboctahedra, faces with two equivalent Bi(1)Mg10Bi2 cuboctahedra, faces with six equivalent Mg(1)Mg8Bi4 cuboctahedra, and faces with twelve equivalent Mg(2)Mg9Bi3 cuboctahedra. is represented by the CIF card [CIF]
data_Mg3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.272
_cell_length_b   6.272
_cell_length_c   6.272
_cell_angle_alpha   149.613
_cell_angle_beta   125.500
_cell_angle_gamma   63.684
_symmetry_Int_Tables_number   1
_cell_volume   100.625
_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  0.167  0.500  0.667  1.0
  Mg  Mg1  1  0.247  0.248  0.999  1.0
  Mg  Mg2  1  0.751  0.752  0.999  1.0
  Bi  Bi3  1  0.669  0.000  0.669  1.0
[/CIF]
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