The crystal structure described by Mg3Bi crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing MgBi4 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing MgBi4 cuboctahedra. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Bi(1) atoms. Bi(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form a mixture of distorted edge, face, and corner-sharing BiMg10 cuboctahedra. is represented by the CIF file [CIF]
data_Mg3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.396
_cell_length_b   5.313
_cell_length_c   5.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.236
_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  0.000  0.668  1.0
  Mg  Mg1  1  0.000  0.500  0.339  1.0
  Mg  Mg2  1  0.500  0.500  0.828  1.0
  Bi  Bi3  1  0.500  0.000  0.166  1.0
[/CIF]
.
The crystal structure described by Mg3Bi crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing MgBi4 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing MgBi4 cuboctahedra. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Bi(1) atoms. Bi(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form a mixture of distorted edge, face, and corner-sharing BiMg10 cuboctahedra. is represented by the CIF file [CIF]
data_Mg3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.396
_cell_length_b   5.313
_cell_length_c   5.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.236
_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  0.000  0.668  1.0
  Mg  Mg1  1  0.000  0.500  0.339  1.0
  Mg  Mg2  1  0.500  0.500  0.828  1.0
  Bi  Bi3  1  0.500  0.000  0.166  1.0
[/CIF]
.