The material structure described by Mg5Bi crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), and four equivalent Mg(4) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg4Bi4 cuboctahedra, edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with eight equivalent Bi(1)Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg4Bi4 cuboctahedra, faces with two equivalent Bi(1)Mg10 cuboctahedra, faces with four equivalent Mg(4)Mg10Bi2 cuboctahedra, and faces with four equivalent Mg(1)Mg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Bi(1) atoms to form distorted MgMg4Bi4 cuboctahedra that share corners with four equivalent Mg(2)Mg4Bi4 cuboctahedra, corners with four equivalent Bi(1)Mg10 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)Mg4Bi4 cuboctahedra, and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Mg(1) and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), four equivalent Mg(1), and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with eight equivalent Bi(1)Mg10 cuboctahedra,  an edgeedge with one Bi(1)Mg10 cuboctahedra, edges with four equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Bi(1)Mg10 cuboctahedra, faces with four equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with four equivalent Mg(1)Mg12 cuboctahedra, and faces with six equivalent Mg(2)Mg4Bi4 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and two equivalent Bi(1) atoms. Bi(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), and four equivalent Mg(2) atoms to form distorted BiMg10 cuboctahedra that share corners with four equivalent Mg(2)Mg4Bi4 cuboctahedra, corners with four equivalent Bi(1)Mg10 cuboctahedra, corners with eight equivalent Mg(4)Mg10Bi2 cuboctahedra,  an edgeedge with one Mg(4)Mg10Bi2 cuboctahedra, edges with eight equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Bi(1)Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_Mg5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.379
_cell_length_b   8.379
_cell_length_c   5.207
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   156.884
_symmetry_Int_Tables_number   1
_cell_volume   143.531
_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  1.000  0.000  0.000  1.0
  Mg  Mg1  1  0.335  0.665  0.000  1.0
  Mg  Mg2  1  0.662  0.338  0.000  1.0
  Mg  Mg3  1  0.451  0.549  0.500  1.0
  Mg  Mg4  1  0.109  0.891  0.500  1.0
  Bi  Bi5  1  0.777  0.223  0.500  1.0
[/CIF]
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The material structure described by Mg5Bi crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), and four equivalent Mg(4) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg4Bi4 cuboctahedra, edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with eight equivalent Bi(1)Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg4Bi4 cuboctahedra, faces with two equivalent Bi(1)Mg10 cuboctahedra, faces with four equivalent Mg(4)Mg10Bi2 cuboctahedra, and faces with four equivalent Mg(1)Mg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Bi(1) atoms to form distorted MgMg4Bi4 cuboctahedra that share corners with four equivalent Mg(2)Mg4Bi4 cuboctahedra, corners with four equivalent Bi(1)Mg10 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)Mg4Bi4 cuboctahedra, and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Mg(1) and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), four equivalent Mg(1), and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with eight equivalent Bi(1)Mg10 cuboctahedra,  an edgeedge with one Bi(1)Mg10 cuboctahedra, edges with four equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Bi(1)Mg10 cuboctahedra, faces with four equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with four equivalent Mg(1)Mg12 cuboctahedra, and faces with six equivalent Mg(2)Mg4Bi4 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and two equivalent Bi(1) atoms. Bi(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), and four equivalent Mg(2) atoms to form distorted BiMg10 cuboctahedra that share corners with four equivalent Mg(2)Mg4Bi4 cuboctahedra, corners with four equivalent Bi(1)Mg10 cuboctahedra, corners with eight equivalent Mg(4)Mg10Bi2 cuboctahedra,  an edgeedge with one Mg(4)Mg10Bi2 cuboctahedra, edges with eight equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Bi(1)Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_Mg5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.379
_cell_length_b   8.379
_cell_length_c   5.207
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   156.884
_symmetry_Int_Tables_number   1
_cell_volume   143.531
_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  1.000  0.000  0.000  1.0
  Mg  Mg1  1  0.335  0.665  0.000  1.0
  Mg  Mg2  1  0.662  0.338  0.000  1.0
  Mg  Mg3  1  0.451  0.549  0.500  1.0
  Mg  Mg4  1  0.109  0.891  0.500  1.0
  Bi  Bi5  1  0.777  0.223  0.500  1.0
[/CIF]
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