The material described by MgBi crystallizes in the monoclinic C2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(2) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent Bi(1) and four equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent Mg(2) and four equivalent Mg(1) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mg(2) atoms. is represented by the CIF file [CIF]
data_MgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.776
_cell_length_b   5.776
_cell_length_c   6.020
_cell_angle_alpha   71.268
_cell_angle_beta   71.268
_cell_angle_gamma   65.090
_symmetry_Int_Tables_number   1
_cell_volume   168.440
_cell_formula_units_Z   3
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  0.663  0.002  0.003  1.0
  Mg  Mg1  1  0.998  0.337  0.997  1.0
  Mg  Mg2  1  0.502  0.498  0.500  1.0
  Bi  Bi3  1  0.380  0.620  0.000  1.0
  Bi  Bi4  1  0.150  0.193  0.496  1.0
  Bi  Bi5  1  0.807  0.850  0.504  1.0
[/CIF]
.
The material described by MgBi crystallizes in the monoclinic C2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(2) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent Bi(1) and four equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent Mg(2) and four equivalent Mg(1) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mg(2) atoms. is represented by the CIF file [CIF]
data_MgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.776
_cell_length_b   5.776
_cell_length_c   6.020
_cell_angle_alpha   71.268
_cell_angle_beta   71.268
_cell_angle_gamma   65.090
_symmetry_Int_Tables_number   1
_cell_volume   168.440
_cell_formula_units_Z   3
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  0.663  0.002  0.003  1.0
  Mg  Mg1  1  0.998  0.337  0.997  1.0
  Mg  Mg2  1  0.502  0.498  0.500  1.0
  Bi  Bi3  1  0.380  0.620  0.000  1.0
  Bi  Bi4  1  0.150  0.193  0.496  1.0
  Bi  Bi5  1  0.807  0.850  0.504  1.0
[/CIF]
.