The material structure described by MgCe2 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to four equivalent Mg(1), two equivalent Ce(2), and six equivalent Ce(1) atoms to form MgCe8Mg4 cuboctahedra that share corners with six equivalent Mg(1)Ce8Mg4 cuboctahedra, corners with six equivalent Ce(2)Ce10Mg2 cuboctahedra, corners with six equivalent Ce(1)Ce6Mg6 cuboctahedra, edges with seven equivalent Ce(1)Ce6Mg6 cuboctahedra, edges with eleven equivalent Ce(2)Ce10Mg2 cuboctahedra, faces with four equivalent Ce(2)Ce10Mg2 cuboctahedra, faces with six equivalent Ce(1)Ce6Mg6 cuboctahedra, and faces with ten equivalent Mg(1)Ce8Mg4 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Mg(1), two equivalent Ce(1), and four equivalent Ce(2) atoms to form distorted CeCe6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Ce8Mg4 cuboctahedra, corners with six equivalent Ce(2)Ce10Mg2 cuboctahedra, corners with six equivalent Ce(1)Ce6Mg6 cuboctahedra, edges with three equivalent Ce(2)Ce10Mg2 cuboctahedra, edges with seven equivalent Mg(1)Ce8Mg4 cuboctahedra, edges with eight equivalent Ce(1)Ce6Mg6 cuboctahedra, faces with six equivalent Mg(1)Ce8Mg4 cuboctahedra, faces with six equivalent Ce(1)Ce6Mg6 cuboctahedra, and faces with eight equivalent Ce(2)Ce10Mg2 cuboctahedra. In the second Ce site, Ce(2) is bonded to two equivalent Mg(1), four equivalent Ce(1), and six equivalent Ce(2) atoms to form distorted CeCe10Mg2 cuboctahedra that share corners with six equivalent Mg(1)Ce8Mg4 cuboctahedra, corners with six equivalent Ce(2)Ce10Mg2 cuboctahedra, corners with six equivalent Ce(1)Ce6Mg6 cuboctahedra, edges with three equivalent Ce(1)Ce6Mg6 cuboctahedra, edges with four equivalent Ce(2)Ce10Mg2 cuboctahedra, edges with eleven equivalent Mg(1)Ce8Mg4 cuboctahedra, faces with four equivalent Mg(1)Ce8Mg4 cuboctahedra, faces with eight equivalent Ce(2)Ce10Mg2 cuboctahedra, and faces with eight equivalent Ce(1)Ce6Mg6 cuboctahedra. is represented by the CIF card [CIF]
data_Ce2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.343
_cell_length_b   9.343
_cell_length_c   5.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.887
_symmetry_Int_Tables_number   1
_cell_volume   149.091
_cell_formula_units_Z   2
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  0.134  0.866  0.250  1.0
  Ce  Ce1  1  0.798  0.202  0.250  1.0
  Ce  Ce2  1  0.202  0.798  0.750  1.0
  Ce  Ce3  1  0.866  0.134  0.750  1.0
  Mg  Mg4  1  0.459  0.541  0.250  1.0
  Mg  Mg5  1  0.541  0.459  0.750  1.0
[/CIF]
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The material structure described by MgCe2 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to four equivalent Mg(1), two equivalent Ce(2), and six equivalent Ce(1) atoms to form MgCe8Mg4 cuboctahedra that share corners with six equivalent Mg(1)Ce8Mg4 cuboctahedra, corners with six equivalent Ce(2)Ce10Mg2 cuboctahedra, corners with six equivalent Ce(1)Ce6Mg6 cuboctahedra, edges with seven equivalent Ce(1)Ce6Mg6 cuboctahedra, edges with eleven equivalent Ce(2)Ce10Mg2 cuboctahedra, faces with four equivalent Ce(2)Ce10Mg2 cuboctahedra, faces with six equivalent Ce(1)Ce6Mg6 cuboctahedra, and faces with ten equivalent Mg(1)Ce8Mg4 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Mg(1), two equivalent Ce(1), and four equivalent Ce(2) atoms to form distorted CeCe6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Ce8Mg4 cuboctahedra, corners with six equivalent Ce(2)Ce10Mg2 cuboctahedra, corners with six equivalent Ce(1)Ce6Mg6 cuboctahedra, edges with three equivalent Ce(2)Ce10Mg2 cuboctahedra, edges with seven equivalent Mg(1)Ce8Mg4 cuboctahedra, edges with eight equivalent Ce(1)Ce6Mg6 cuboctahedra, faces with six equivalent Mg(1)Ce8Mg4 cuboctahedra, faces with six equivalent Ce(1)Ce6Mg6 cuboctahedra, and faces with eight equivalent Ce(2)Ce10Mg2 cuboctahedra. In the second Ce site, Ce(2) is bonded to two equivalent Mg(1), four equivalent Ce(1), and six equivalent Ce(2) atoms to form distorted CeCe10Mg2 cuboctahedra that share corners with six equivalent Mg(1)Ce8Mg4 cuboctahedra, corners with six equivalent Ce(2)Ce10Mg2 cuboctahedra, corners with six equivalent Ce(1)Ce6Mg6 cuboctahedra, edges with three equivalent Ce(1)Ce6Mg6 cuboctahedra, edges with four equivalent Ce(2)Ce10Mg2 cuboctahedra, edges with eleven equivalent Mg(1)Ce8Mg4 cuboctahedra, faces with four equivalent Mg(1)Ce8Mg4 cuboctahedra, faces with eight equivalent Ce(2)Ce10Mg2 cuboctahedra, and faces with eight equivalent Ce(1)Ce6Mg6 cuboctahedra. is represented by the CIF card [CIF]
data_Ce2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.343
_cell_length_b   9.343
_cell_length_c   5.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.887
_symmetry_Int_Tables_number   1
_cell_volume   149.091
_cell_formula_units_Z   2
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  0.134  0.866  0.250  1.0
  Ce  Ce1  1  0.798  0.202  0.250  1.0
  Ce  Ce2  1  0.202  0.798  0.750  1.0
  Ce  Ce3  1  0.866  0.134  0.750  1.0
  Mg  Mg4  1  0.459  0.541  0.250  1.0
  Mg  Mg5  1  0.541  0.459  0.750  1.0
[/CIF]
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