The crystal structure described by MgCe5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six Ce(1,1) and six equivalent Ce(2) atoms to form MgCe12 cuboctahedra that share corners with eighteen equivalent Ce(2)Ce9Mg3 cuboctahedra; edges with six equivalent Mg(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Ce10Mg2 cuboctahedra; faces with two equivalent Mg(1)Ce12 cuboctahedra; faces with six equivalent Ce(2)Ce9Mg3 cuboctahedra; and faces with twelve Ce(1,1)Ce10Mg2 cuboctahedra. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Mg(1); four equivalent Ce(2); and six Ce(1,1) atoms to form CeCe10Mg2 cuboctahedra that share corners with eighteen Ce(1,1)Ce10Mg2 cuboctahedra; edges with four equivalent Mg(1)Ce12 cuboctahedra; edges with six equivalent Ce(1)Ce10Mg2 cuboctahedra; edges with eight equivalent Ce(2)Ce9Mg3 cuboctahedra; faces with four equivalent Mg(1)Ce12 cuboctahedra; faces with eight Ce(1,1)Ce10Mg2 cuboctahedra; and faces with eight equivalent Ce(2)Ce9Mg3 cuboctahedra. In the second Ce site, Ce(1) is bonded to two equivalent Mg(1), four equivalent Ce(2), and six equivalent Ce(1) atoms to form CeCe10Mg2 cuboctahedra that share corners with eighteen equivalent Ce(1)Ce10Mg2 cuboctahedra; edges with four equivalent Mg(1)Ce12 cuboctahedra; edges with six equivalent Ce(1)Ce10Mg2 cuboctahedra; edges with eight equivalent Ce(2)Ce9Mg3 cuboctahedra; faces with four equivalent Mg(1)Ce12 cuboctahedra; faces with eight Ce(1,1)Ce10Mg2 cuboctahedra; and faces with eight equivalent Ce(2)Ce9Mg3 cuboctahedra. In the third Ce site, Ce(2) is bonded to three equivalent Mg(1); three equivalent Ce(2); and six Ce(1,1) atoms to form CeCe9Mg3 cuboctahedra that share corners with nine equivalent Mg(1)Ce12 cuboctahedra; corners with nine equivalent Ce(2)Ce9Mg3 cuboctahedra; edges with six equivalent Ce(2)Ce9Mg3 cuboctahedra; edges with twelve Ce(1,1)Ce10Mg2 cuboctahedra; faces with three equivalent Mg(1)Ce12 cuboctahedra; faces with five equivalent Ce(2)Ce9Mg3 cuboctahedra; and faces with twelve Ce(1,1)Ce10Mg2 cuboctahedra. is represented by the CIF file [CIF]
data_Ce5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.786
_cell_length_b   5.786
_cell_length_c   5.498
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   159.410
_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  0.000  0.346  0.000  1.0
  Ce  Ce1  1  0.654  0.654  0.000  1.0
  Ce  Ce2  1  0.346  0.000  0.000  1.0
  Ce  Ce3  1  0.667  0.333  0.500  1.0
  Ce  Ce4  1  0.333  0.667  0.500  1.0
  Mg  Mg5  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by MgCe5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six Ce(1,1) and six equivalent Ce(2) atoms to form MgCe12 cuboctahedra that share corners with eighteen equivalent Ce(2)Ce9Mg3 cuboctahedra; edges with six equivalent Mg(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Ce10Mg2 cuboctahedra; faces with two equivalent Mg(1)Ce12 cuboctahedra; faces with six equivalent Ce(2)Ce9Mg3 cuboctahedra; and faces with twelve Ce(1,1)Ce10Mg2 cuboctahedra. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Mg(1); four equivalent Ce(2); and six Ce(1,1) atoms to form CeCe10Mg2 cuboctahedra that share corners with eighteen Ce(1,1)Ce10Mg2 cuboctahedra; edges with four equivalent Mg(1)Ce12 cuboctahedra; edges with six equivalent Ce(1)Ce10Mg2 cuboctahedra; edges with eight equivalent Ce(2)Ce9Mg3 cuboctahedra; faces with four equivalent Mg(1)Ce12 cuboctahedra; faces with eight Ce(1,1)Ce10Mg2 cuboctahedra; and faces with eight equivalent Ce(2)Ce9Mg3 cuboctahedra. In the second Ce site, Ce(1) is bonded to two equivalent Mg(1), four equivalent Ce(2), and six equivalent Ce(1) atoms to form CeCe10Mg2 cuboctahedra that share corners with eighteen equivalent Ce(1)Ce10Mg2 cuboctahedra; edges with four equivalent Mg(1)Ce12 cuboctahedra; edges with six equivalent Ce(1)Ce10Mg2 cuboctahedra; edges with eight equivalent Ce(2)Ce9Mg3 cuboctahedra; faces with four equivalent Mg(1)Ce12 cuboctahedra; faces with eight Ce(1,1)Ce10Mg2 cuboctahedra; and faces with eight equivalent Ce(2)Ce9Mg3 cuboctahedra. In the third Ce site, Ce(2) is bonded to three equivalent Mg(1); three equivalent Ce(2); and six Ce(1,1) atoms to form CeCe9Mg3 cuboctahedra that share corners with nine equivalent Mg(1)Ce12 cuboctahedra; corners with nine equivalent Ce(2)Ce9Mg3 cuboctahedra; edges with six equivalent Ce(2)Ce9Mg3 cuboctahedra; edges with twelve Ce(1,1)Ce10Mg2 cuboctahedra; faces with three equivalent Mg(1)Ce12 cuboctahedra; faces with five equivalent Ce(2)Ce9Mg3 cuboctahedra; and faces with twelve Ce(1,1)Ce10Mg2 cuboctahedra. is represented by the CIF file [CIF]
data_Ce5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.786
_cell_length_b   5.786
_cell_length_c   5.498
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   159.410
_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  0.000  0.346  0.000  1.0
  Ce  Ce1  1  0.654  0.654  0.000  1.0
  Ce  Ce2  1  0.346  0.000  0.000  1.0
  Ce  Ce3  1  0.667  0.333  0.500  1.0
  Ce  Ce4  1  0.333  0.667  0.500  1.0
  Mg  Mg5  1  0.000  0.000  0.500  1.0
[/CIF]
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