The material described by MgCe2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to five equivalent Mg(1), two equivalent Ce(1), and five equivalent Ce(2) atoms to form MgCe7Mg5 cuboctahedra that share corners with two equivalent Mg(1)Ce7Mg5 cuboctahedra, corners with five equivalent Ce(2)Ce7Mg5 cuboctahedra, edges with six equivalent Mg(1)Ce7Mg5 cuboctahedra, edges with six equivalent Ce(2)Ce7Mg5 cuboctahedra, faces with seven equivalent Mg(1)Ce7Mg5 cuboctahedra, and faces with seven equivalent Ce(2)Ce7Mg5 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), five equivalent Ce(1), and five equivalent Ce(2) atoms. In the second Ce site, Ce(2) is bonded to five equivalent Mg(1), two equivalent Ce(2), and five equivalent Ce(1) atoms to form distorted CeCe7Mg5 cuboctahedra that share corners with two equivalent Ce(2)Ce7Mg5 cuboctahedra, corners with five equivalent Mg(1)Ce7Mg5 cuboctahedra, edges with six equivalent Mg(1)Ce7Mg5 cuboctahedra, edges with twelve equivalent Ce(2)Ce7Mg5 cuboctahedra, faces with four equivalent Ce(2)Ce7Mg5 cuboctahedra, and faces with seven equivalent Mg(1)Ce7Mg5 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.450
_cell_length_b   5.450
_cell_length_c   9.612
_cell_angle_alpha   69.235
_cell_angle_beta   69.235
_cell_angle_gamma   34.049
_symmetry_Int_Tables_number   1
_cell_volume   148.449
_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  0.312  0.312  0.111  1.0
  Ce  Ce1  1  0.017  0.017  0.216  1.0
  Ce  Ce2  1  0.983  0.983  0.784  1.0
  Ce  Ce3  1  0.688  0.688  0.889  1.0
  Mg  Mg4  1  0.657  0.657  0.442  1.0
  Mg  Mg5  1  0.343  0.343  0.558  1.0
[/CIF]
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The material described by MgCe2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to five equivalent Mg(1), two equivalent Ce(1), and five equivalent Ce(2) atoms to form MgCe7Mg5 cuboctahedra that share corners with two equivalent Mg(1)Ce7Mg5 cuboctahedra, corners with five equivalent Ce(2)Ce7Mg5 cuboctahedra, edges with six equivalent Mg(1)Ce7Mg5 cuboctahedra, edges with six equivalent Ce(2)Ce7Mg5 cuboctahedra, faces with seven equivalent Mg(1)Ce7Mg5 cuboctahedra, and faces with seven equivalent Ce(2)Ce7Mg5 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), five equivalent Ce(1), and five equivalent Ce(2) atoms. In the second Ce site, Ce(2) is bonded to five equivalent Mg(1), two equivalent Ce(2), and five equivalent Ce(1) atoms to form distorted CeCe7Mg5 cuboctahedra that share corners with two equivalent Ce(2)Ce7Mg5 cuboctahedra, corners with five equivalent Mg(1)Ce7Mg5 cuboctahedra, edges with six equivalent Mg(1)Ce7Mg5 cuboctahedra, edges with twelve equivalent Ce(2)Ce7Mg5 cuboctahedra, faces with four equivalent Ce(2)Ce7Mg5 cuboctahedra, and faces with seven equivalent Mg(1)Ce7Mg5 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.450
_cell_length_b   5.450
_cell_length_c   9.612
_cell_angle_alpha   69.235
_cell_angle_beta   69.235
_cell_angle_gamma   34.049
_symmetry_Int_Tables_number   1
_cell_volume   148.449
_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  0.312  0.312  0.111  1.0
  Ce  Ce1  1  0.017  0.017  0.216  1.0
  Ce  Ce2  1  0.983  0.983  0.784  1.0
  Ce  Ce3  1  0.688  0.688  0.889  1.0
  Mg  Mg4  1  0.657  0.657  0.442  1.0
  Mg  Mg5  1  0.343  0.343  0.558  1.0
[/CIF]
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