The material structure described by Mg5Bi crystallizes in the trigonal R32 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four Mg(2,2,2,2); six equivalent Mg(1); and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with eighteen Mg(1,1)Mg10Bi2 cuboctahedra; edges with four equivalent Bi(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Bi2 cuboctahedra; edges with eight Mg(2,2,2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Bi2 cuboctahedra; and faces with eight Mg(2,2,2,2)Mg9Bi3 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1); and three equivalent Bi(1) atoms to form distorted MgMg9Bi3 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9Bi3 cuboctahedra; edges with six equivalent Mg(2)Mg9Bi3 cuboctahedra; edges with twelve Mg(1,1)Mg10Bi2 cuboctahedra; faces with four Mg(2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1)Mg10Bi2 cuboctahedra. In the third Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1); and three equivalent Bi(1) atoms to form distorted MgMg9Bi3 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9Bi3 cuboctahedra; edges with six equivalent Mg(2)Mg9Bi3 cuboctahedra; edges with twelve Mg(1,1)Mg10Bi2 cuboctahedra; faces with four Mg(2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1)Mg10Bi2 cuboctahedra. In the fourth Mg site, Mg(1) is bonded to four Mg(2,2,2); six equivalent Mg(1); and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with eighteen Mg(1,1,1)Mg10Bi2 cuboctahedra; edges with four equivalent Bi(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Bi2 cuboctahedra; edges with eight Mg(2,2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Bi2 cuboctahedra; and faces with eight Mg(2,2,2)Mg9Bi3 cuboctahedra. In the fifth Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1); and three equivalent Bi(1) atoms to form distorted MgMg9Bi3 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9Bi3 cuboctahedra; edges with six equivalent Mg(2)Mg9Bi3 cuboctahedra; edges with twelve Mg(1,1,1)Mg10Bi2 cuboctahedra; faces with four Mg(2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1)Mg10Bi2 cuboctahedra. In the sixth Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1); and three equivalent Bi(1) atoms to form distorted MgMg9Bi3 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9Bi3 cuboctahedra; edges with six equivalent Mg(2)Mg9Bi3 cuboctahedra; edges with twelve Mg(1,1,1)Mg10Bi2 cuboctahedra; faces with four equivalent Mg(2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1)Mg10Bi2 cuboctahedra. In the seventh Mg site, Mg(1) is bonded to four Mg(2,2); six equivalent Mg(1); and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with eighteen Mg(1,1)Mg10Bi2 cuboctahedra; edges with four equivalent Bi(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Bi2 cuboctahedra; edges with eight Mg(2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Bi2 cuboctahedra; and faces with eight Mg(2,2)Mg9Bi3 cuboctahedra. Bi(1) is bonded to six Mg(1,1) and six Mg(2,2) atoms to form BiMg12 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9Bi3 cuboctahedra; edges with six equivalent Bi(1)Mg12 cuboctahedra; edges with twelve Mg(1,1)Mg10Bi2 cuboctahedra; faces with eight Mg(2,2,2,2)Mg9Bi3 cuboctahedra; and faces with twelve Mg(1,1)Mg10Bi2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.261
_cell_length_b   6.261
_cell_length_c   6.261
_cell_angle_alpha   53.363
_cell_angle_beta   53.363
_cell_angle_gamma   53.363
_symmetry_Int_Tables_number   1
_cell_volume   146.573
_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  0.000  0.668  0.332  1.0
  Mg  Mg1  1  0.167  0.167  0.167  1.0
  Mg  Mg2  1  0.332  0.000  0.668  1.0
  Mg  Mg3  1  0.668  0.332  0.000  1.0
  Mg  Mg4  1  0.833  0.833  0.833  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by Mg5Bi crystallizes in the trigonal R32 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four Mg(2,2,2,2); six equivalent Mg(1); and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with eighteen Mg(1,1)Mg10Bi2 cuboctahedra; edges with four equivalent Bi(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Bi2 cuboctahedra; edges with eight Mg(2,2,2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Bi2 cuboctahedra; and faces with eight Mg(2,2,2,2)Mg9Bi3 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1); and three equivalent Bi(1) atoms to form distorted MgMg9Bi3 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9Bi3 cuboctahedra; edges with six equivalent Mg(2)Mg9Bi3 cuboctahedra; edges with twelve Mg(1,1)Mg10Bi2 cuboctahedra; faces with four Mg(2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1)Mg10Bi2 cuboctahedra. In the third Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1); and three equivalent Bi(1) atoms to form distorted MgMg9Bi3 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9Bi3 cuboctahedra; edges with six equivalent Mg(2)Mg9Bi3 cuboctahedra; edges with twelve Mg(1,1)Mg10Bi2 cuboctahedra; faces with four Mg(2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1)Mg10Bi2 cuboctahedra. In the fourth Mg site, Mg(1) is bonded to four Mg(2,2,2); six equivalent Mg(1); and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with eighteen Mg(1,1,1)Mg10Bi2 cuboctahedra; edges with four equivalent Bi(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Bi2 cuboctahedra; edges with eight Mg(2,2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Bi2 cuboctahedra; and faces with eight Mg(2,2,2)Mg9Bi3 cuboctahedra. In the fifth Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1); and three equivalent Bi(1) atoms to form distorted MgMg9Bi3 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9Bi3 cuboctahedra; edges with six equivalent Mg(2)Mg9Bi3 cuboctahedra; edges with twelve Mg(1,1,1)Mg10Bi2 cuboctahedra; faces with four Mg(2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1)Mg10Bi2 cuboctahedra. In the sixth Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1); and three equivalent Bi(1) atoms to form distorted MgMg9Bi3 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9Bi3 cuboctahedra; edges with six equivalent Mg(2)Mg9Bi3 cuboctahedra; edges with twelve Mg(1,1,1)Mg10Bi2 cuboctahedra; faces with four equivalent Mg(2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1)Mg10Bi2 cuboctahedra. In the seventh Mg site, Mg(1) is bonded to four Mg(2,2); six equivalent Mg(1); and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with eighteen Mg(1,1)Mg10Bi2 cuboctahedra; edges with four equivalent Bi(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Bi2 cuboctahedra; edges with eight Mg(2,2)Mg9Bi3 cuboctahedra; faces with four equivalent Bi(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Bi2 cuboctahedra; and faces with eight Mg(2,2)Mg9Bi3 cuboctahedra. Bi(1) is bonded to six Mg(1,1) and six Mg(2,2) atoms to form BiMg12 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9Bi3 cuboctahedra; edges with six equivalent Bi(1)Mg12 cuboctahedra; edges with twelve Mg(1,1)Mg10Bi2 cuboctahedra; faces with eight Mg(2,2,2,2)Mg9Bi3 cuboctahedra; and faces with twelve Mg(1,1)Mg10Bi2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.261
_cell_length_b   6.261
_cell_length_c   6.261
_cell_angle_alpha   53.363
_cell_angle_beta   53.363
_cell_angle_gamma   53.363
_symmetry_Int_Tables_number   1
_cell_volume   146.573
_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  0.000  0.668  0.332  1.0
  Mg  Mg1  1  0.167  0.167  0.167  1.0
  Mg  Mg2  1  0.332  0.000  0.668  1.0
  Mg  Mg3  1  0.668  0.332  0.000  1.0
  Mg  Mg4  1  0.833  0.833  0.833  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
[/CIF]
.