The material structure described by Mg6CeBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ce(1), and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ce(1) atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent Ce(1)Mg10Bi2 cuboctahedra, corners with six equivalent Mg(2)Ce2Mg10 cuboctahedra, edges with two equivalent Ce(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Ce(1)Mg10Bi2 cuboctahedra, and faces with six equivalent Bi(1)Ce2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Ce(1), and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)Ce2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Bi(1)Ce2Mg10 cuboctahedra, edges with four equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Ce2Mg10 cuboctahedra, and faces with six equivalent Ce(1)Mg10Bi2 cuboctahedra. Ce(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms to form distorted CeMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Ce2Mg10 cuboctahedra, corners with six equivalent Ce(1)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(2)Ce2Mg10 cuboctahedra, edges with four equivalent Bi(1)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Ce(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Ce2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ce(1) atoms to form distorted BiCe2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Ce2Mg10 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with four equivalent Ce(1)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Ce(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Ce2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Ce2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_CeMg6Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.803
_cell_length_b   6.803
_cell_length_c   5.150
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.046
_symmetry_Int_Tables_number   1
_cell_volume   208.394
_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
  Ce  Ce0  1  0.830  0.170  0.000  1.0
  Mg  Mg1  1  0.839  0.684  0.000  1.0
  Mg  Mg2  1  0.316  0.161  0.000  1.0
  Mg  Mg3  1  0.339  0.661  0.000  1.0
  Mg  Mg4  1  0.656  0.810  0.500  1.0
  Mg  Mg5  1  0.190  0.344  0.500  1.0
  Mg  Mg6  1  0.168  0.832  0.500  1.0
  Bi  Bi7  1  0.662  0.338  0.500  1.0
[/CIF]
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The material structure described by Mg6CeBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ce(1), and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ce(1) atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent Ce(1)Mg10Bi2 cuboctahedra, corners with six equivalent Mg(2)Ce2Mg10 cuboctahedra, edges with two equivalent Ce(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Ce(1)Mg10Bi2 cuboctahedra, and faces with six equivalent Bi(1)Ce2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Ce(1), and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)Ce2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Bi(1)Ce2Mg10 cuboctahedra, edges with four equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Ce2Mg10 cuboctahedra, and faces with six equivalent Ce(1)Mg10Bi2 cuboctahedra. Ce(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms to form distorted CeMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Ce2Mg10 cuboctahedra, corners with six equivalent Ce(1)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(2)Ce2Mg10 cuboctahedra, edges with four equivalent Bi(1)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Ce(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Ce2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ce(1) atoms to form distorted BiCe2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Ce2Mg10 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with four equivalent Ce(1)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Ce(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Ce2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Ce2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_CeMg6Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.803
_cell_length_b   6.803
_cell_length_c   5.150
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.046
_symmetry_Int_Tables_number   1
_cell_volume   208.394
_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
  Ce  Ce0  1  0.830  0.170  0.000  1.0
  Mg  Mg1  1  0.839  0.684  0.000  1.0
  Mg  Mg2  1  0.316  0.161  0.000  1.0
  Mg  Mg3  1  0.339  0.661  0.000  1.0
  Mg  Mg4  1  0.656  0.810  0.500  1.0
  Mg  Mg5  1  0.190  0.344  0.500  1.0
  Mg  Mg6  1  0.168  0.832  0.500  1.0
  Bi  Bi7  1  0.662  0.338  0.500  1.0
[/CIF]
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