The material structure described by MgCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Ce(1) and eight equivalent Ce(2) atoms to form MgCe12 cuboctahedra that share corners with four equivalent Mg(1)Ce12 cuboctahedra, corners with eight equivalent Ce(1)Ce8Mg4 cuboctahedra, edges with eight equivalent Mg(1)Ce12 cuboctahedra, edges with sixteen equivalent Ce(2)Ce8Mg4 cuboctahedra, faces with four equivalent Mg(1)Ce12 cuboctahedra, faces with six equivalent Ce(1)Ce8Mg4 cuboctahedra, and faces with eight equivalent Ce(2)Ce8Mg4 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Mg(1) and eight equivalent Ce(2) atoms to form CeCe8Mg4 cuboctahedra that share corners with four equivalent Ce(1)Ce8Mg4 cuboctahedra, corners with eight equivalent Mg(1)Ce12 cuboctahedra, edges with eight equivalent Ce(1)Ce8Mg4 cuboctahedra, edges with sixteen equivalent Ce(2)Ce8Mg4 cuboctahedra, faces with four equivalent Ce(1)Ce8Mg4 cuboctahedra, faces with six equivalent Mg(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(2)Ce8Mg4 cuboctahedra. In the second Ce site, Ce(2) is bonded to four equivalent Mg(1), four equivalent Ce(1), and four equivalent Ce(2) atoms to form CeCe8Mg4 cuboctahedra that share corners with twelve equivalent Ce(2)Ce8Mg4 cuboctahedra, edges with eight equivalent Mg(1)Ce12 cuboctahedra, edges with eight equivalent Ce(1)Ce8Mg4 cuboctahedra, edges with eight equivalent Ce(2)Ce8Mg4 cuboctahedra, faces with four equivalent Mg(1)Ce12 cuboctahedra, faces with four equivalent Ce(1)Ce8Mg4 cuboctahedra, and faces with ten equivalent Ce(2)Ce8Mg4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   5.909
_cell_length_c   5.909
_cell_angle_alpha   132.587
_cell_angle_beta   132.587
_cell_angle_gamma   69.304
_symmetry_Int_Tables_number   1
_cell_volume   109.766
_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  0.500  0.500  0.000  1.0
  Ce  Ce1  1  0.250  0.750  0.500  1.0
  Ce  Ce2  1  0.750  0.250  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by MgCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Ce(1) and eight equivalent Ce(2) atoms to form MgCe12 cuboctahedra that share corners with four equivalent Mg(1)Ce12 cuboctahedra, corners with eight equivalent Ce(1)Ce8Mg4 cuboctahedra, edges with eight equivalent Mg(1)Ce12 cuboctahedra, edges with sixteen equivalent Ce(2)Ce8Mg4 cuboctahedra, faces with four equivalent Mg(1)Ce12 cuboctahedra, faces with six equivalent Ce(1)Ce8Mg4 cuboctahedra, and faces with eight equivalent Ce(2)Ce8Mg4 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Mg(1) and eight equivalent Ce(2) atoms to form CeCe8Mg4 cuboctahedra that share corners with four equivalent Ce(1)Ce8Mg4 cuboctahedra, corners with eight equivalent Mg(1)Ce12 cuboctahedra, edges with eight equivalent Ce(1)Ce8Mg4 cuboctahedra, edges with sixteen equivalent Ce(2)Ce8Mg4 cuboctahedra, faces with four equivalent Ce(1)Ce8Mg4 cuboctahedra, faces with six equivalent Mg(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(2)Ce8Mg4 cuboctahedra. In the second Ce site, Ce(2) is bonded to four equivalent Mg(1), four equivalent Ce(1), and four equivalent Ce(2) atoms to form CeCe8Mg4 cuboctahedra that share corners with twelve equivalent Ce(2)Ce8Mg4 cuboctahedra, edges with eight equivalent Mg(1)Ce12 cuboctahedra, edges with eight equivalent Ce(1)Ce8Mg4 cuboctahedra, edges with eight equivalent Ce(2)Ce8Mg4 cuboctahedra, faces with four equivalent Mg(1)Ce12 cuboctahedra, faces with four equivalent Ce(1)Ce8Mg4 cuboctahedra, and faces with ten equivalent Ce(2)Ce8Mg4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   5.909
_cell_length_c   5.909
_cell_angle_alpha   132.587
_cell_angle_beta   132.587
_cell_angle_gamma   69.304
_symmetry_Int_Tables_number   1
_cell_volume   109.766
_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  0.500  0.500  0.000  1.0
  Ce  Ce1  1  0.250  0.750  0.500  1.0
  Ce  Ce2  1  0.750  0.250  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
[/CIF]
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