The material described by MgBi crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Bi(2), two equivalent Bi(1), and three equivalent Bi(3) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to two equivalent Bi(2), two equivalent Bi(3), and three equivalent Bi(1) atoms. In the third Mg site, Mg(3) is bonded in a 7-coordinate geometry to two equivalent Bi(1), two equivalent Bi(3), and three equivalent Bi(2) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), and three equivalent Mg(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), and two equivalent Bi(2) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), and three equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_MgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.197
_cell_length_b   6.197
_cell_length_c   8.764
_cell_angle_alpha   69.931
_cell_angle_beta   69.931
_cell_angle_gamma   31.626
_symmetry_Int_Tables_number   1
_cell_volume   164.895
_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  0.019  0.019  0.999  1.0
  Mg  Mg1  1  0.395  0.395  0.726  1.0
  Mg  Mg2  1  0.313  0.313  0.329  1.0
  Bi  Bi3  1  0.672  0.672  0.670  1.0
  Bi  Bi4  1  0.017  0.017  0.400  1.0
  Bi  Bi5  1  0.750  0.750  0.042  1.0
[/CIF]
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The material described by MgBi crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Bi(2), two equivalent Bi(1), and three equivalent Bi(3) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to two equivalent Bi(2), two equivalent Bi(3), and three equivalent Bi(1) atoms. In the third Mg site, Mg(3) is bonded in a 7-coordinate geometry to two equivalent Bi(1), two equivalent Bi(3), and three equivalent Bi(2) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), and three equivalent Mg(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), and two equivalent Bi(2) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), and three equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_MgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.197
_cell_length_b   6.197
_cell_length_c   8.764
_cell_angle_alpha   69.931
_cell_angle_beta   69.931
_cell_angle_gamma   31.626
_symmetry_Int_Tables_number   1
_cell_volume   164.895
_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  0.019  0.019  0.999  1.0
  Mg  Mg1  1  0.395  0.395  0.726  1.0
  Mg  Mg2  1  0.313  0.313  0.329  1.0
  Bi  Bi3  1  0.672  0.672  0.670  1.0
  Bi  Bi4  1  0.017  0.017  0.400  1.0
  Bi  Bi5  1  0.750  0.750  0.042  1.0
[/CIF]
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