The crystal structure described by MgCe3 crystallizes in the hexagonal P-6m2 space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Ce(2) atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Ce6Mg6 cuboctahedra, corners with twelve equivalent Ce(1)Ce12 cuboctahedra, edges with six equivalent Mg(1)Ce6Mg6 cuboctahedra, edges with twelve equivalent Ce(2)Ce9Mg3 cuboctahedra, faces with two equivalent Ce(1)Ce12 cuboctahedra, faces with six equivalent Mg(1)Ce6Mg6 cuboctahedra, and faces with twelve equivalent Ce(2)Ce9Mg3 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Ce(1) and six equivalent Ce(2) atoms to form CeCe12 cuboctahedra that share corners with six equivalent Ce(1)Ce12 cuboctahedra, corners with twelve equivalent Mg(1)Ce6Mg6 cuboctahedra, edges with six equivalent Ce(1)Ce12 cuboctahedra, edges with twelve equivalent Ce(2)Ce9Mg3 cuboctahedra, faces with two equivalent Mg(1)Ce6Mg6 cuboctahedra, faces with six equivalent Ce(1)Ce12 cuboctahedra, and faces with twelve equivalent Ce(2)Ce9Mg3 cuboctahedra. In the second Ce site, Ce(2) is bonded to three equivalent Mg(1), three equivalent Ce(1), and six equivalent Ce(2) atoms to form CeCe9Mg3 cuboctahedra that share corners with eighteen equivalent Ce(2)Ce9Mg3 cuboctahedra, edges with six equivalent Mg(1)Ce6Mg6 cuboctahedra, edges with six equivalent Ce(1)Ce12 cuboctahedra, edges with six equivalent Ce(2)Ce9Mg3 cuboctahedra, faces with six equivalent Mg(1)Ce6Mg6 cuboctahedra, faces with six equivalent Ce(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(2)Ce9Mg3 cuboctahedra. is represented by the CIF card [CIF]
data_Ce3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.195
_cell_length_b   3.195
_cell_length_c   11.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   103.884
_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  0.667  0.333  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.749  1.0
  Ce  Ce2  1  0.000  0.000  0.251  1.0
  Mg  Mg3  1  0.667  0.333  0.500  1.0
[/CIF]
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The crystal structure described by MgCe3 crystallizes in the hexagonal P-6m2 space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Ce(2) atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Ce6Mg6 cuboctahedra, corners with twelve equivalent Ce(1)Ce12 cuboctahedra, edges with six equivalent Mg(1)Ce6Mg6 cuboctahedra, edges with twelve equivalent Ce(2)Ce9Mg3 cuboctahedra, faces with two equivalent Ce(1)Ce12 cuboctahedra, faces with six equivalent Mg(1)Ce6Mg6 cuboctahedra, and faces with twelve equivalent Ce(2)Ce9Mg3 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Ce(1) and six equivalent Ce(2) atoms to form CeCe12 cuboctahedra that share corners with six equivalent Ce(1)Ce12 cuboctahedra, corners with twelve equivalent Mg(1)Ce6Mg6 cuboctahedra, edges with six equivalent Ce(1)Ce12 cuboctahedra, edges with twelve equivalent Ce(2)Ce9Mg3 cuboctahedra, faces with two equivalent Mg(1)Ce6Mg6 cuboctahedra, faces with six equivalent Ce(1)Ce12 cuboctahedra, and faces with twelve equivalent Ce(2)Ce9Mg3 cuboctahedra. In the second Ce site, Ce(2) is bonded to three equivalent Mg(1), three equivalent Ce(1), and six equivalent Ce(2) atoms to form CeCe9Mg3 cuboctahedra that share corners with eighteen equivalent Ce(2)Ce9Mg3 cuboctahedra, edges with six equivalent Mg(1)Ce6Mg6 cuboctahedra, edges with six equivalent Ce(1)Ce12 cuboctahedra, edges with six equivalent Ce(2)Ce9Mg3 cuboctahedra, faces with six equivalent Mg(1)Ce6Mg6 cuboctahedra, faces with six equivalent Ce(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(2)Ce9Mg3 cuboctahedra. is represented by the CIF card [CIF]
data_Ce3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.195
_cell_length_b   3.195
_cell_length_c   11.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   103.884
_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  0.667  0.333  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.749  1.0
  Ce  Ce2  1  0.000  0.000  0.251  1.0
  Mg  Mg3  1  0.667  0.333  0.500  1.0
[/CIF]
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