The compound described by CeMg crystallizes in the monoclinic C2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2); three equivalent Mg(1); three equivalent Ce(1); and four Ce(2,2) atoms. In the second Mg site, Mg(2) is bonded to four Mg(1,1); two equivalent Ce(1); and six Ce(2,2) atoms to form MgCe8Mg4 cuboctahedra that share corners with six equivalent Mg(2)Ce8Mg4 cuboctahedra; corners with twelve Ce(2,2)Ce5Mg7 cuboctahedra; edges with four equivalent Ce(1)Ce4Mg8 cuboctahedra; edges with six equivalent Mg(2)Ce8Mg4 cuboctahedra; faces with four equivalent Ce(1)Ce4Mg8 cuboctahedra; and faces with eight Ce(2,2)Ce5Mg7 cuboctahedra. In the third Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2); three equivalent Mg(1); three equivalent Ce(1); and four Ce(2,2) atoms. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Mg(2); six Mg(1,1); and four Ce(2,2) atoms to form CeCe4Mg8 cuboctahedra that share corners with six equivalent Ce(1)Ce4Mg8 cuboctahedra; edges with four equivalent Mg(2)Ce8Mg4 cuboctahedra; edges with six equivalent Ce(1)Ce4Mg8 cuboctahedra; edges with eight Ce(2,2)Ce5Mg7 cuboctahedra; faces with four equivalent Mg(2)Ce8Mg4 cuboctahedra; and faces with eight Ce(2,2)Ce5Mg7 cuboctahedra. In the second Ce site, Ce(2) is bonded to three equivalent Mg(2); four Mg(1,1); two equivalent Ce(1); and three Ce(2,2) atoms to form distorted CeCe5Mg7 cuboctahedra that share corners with six equivalent Mg(2)Ce8Mg4 cuboctahedra; corners with twelve Ce(2,2)Ce5Mg7 cuboctahedra; edges with four equivalent Ce(1)Ce4Mg8 cuboctahedra; edges with six Ce(2,2)Ce5Mg7 cuboctahedra; faces with four equivalent Mg(2)Ce8Mg4 cuboctahedra; faces with four equivalent Ce(1)Ce4Mg8 cuboctahedra; and faces with four Ce(2,2)Ce5Mg7 cuboctahedra. In the third Ce site, Ce(2) is bonded to three equivalent Mg(2); four Mg(1,1); two equivalent Ce(1); and three Ce(2,2) atoms to form distorted CeCe5Mg7 cuboctahedra that share corners with six equivalent Mg(2)Ce8Mg4 cuboctahedra; corners with twelve Ce(2,2)Ce5Mg7 cuboctahedra; edges with four equivalent Ce(1)Ce4Mg8 cuboctahedra; edges with six Ce(2,2)Ce5Mg7 cuboctahedra; faces with four equivalent Mg(2)Ce8Mg4 cuboctahedra; faces with four equivalent Ce(1)Ce4Mg8 cuboctahedra; and faces with four Ce(2,2)Ce5Mg7 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.922
_cell_length_c   6.647
_cell_angle_alpha   60.786
_cell_angle_beta   60.786
_cell_angle_gamma   59.568
_symmetry_Int_Tables_number   1
_cell_volume   166.193
_cell_formula_units_Z   3
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  0.336  0.664  0.000  1.0
  Ce  Ce1  1  0.167  0.165  0.504  1.0
  Ce  Ce2  1  0.835  0.833  0.496  1.0
  Mg  Mg3  1  0.659  0.001  0.998  1.0
  Mg  Mg4  1  0.999  0.341  0.002  1.0
  Mg  Mg5  1  0.503  0.497  0.500  1.0
[/CIF]
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The compound described by CeMg crystallizes in the monoclinic C2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2); three equivalent Mg(1); three equivalent Ce(1); and four Ce(2,2) atoms. In the second Mg site, Mg(2) is bonded to four Mg(1,1); two equivalent Ce(1); and six Ce(2,2) atoms to form MgCe8Mg4 cuboctahedra that share corners with six equivalent Mg(2)Ce8Mg4 cuboctahedra; corners with twelve Ce(2,2)Ce5Mg7 cuboctahedra; edges with four equivalent Ce(1)Ce4Mg8 cuboctahedra; edges with six equivalent Mg(2)Ce8Mg4 cuboctahedra; faces with four equivalent Ce(1)Ce4Mg8 cuboctahedra; and faces with eight Ce(2,2)Ce5Mg7 cuboctahedra. In the third Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2); three equivalent Mg(1); three equivalent Ce(1); and four Ce(2,2) atoms. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Mg(2); six Mg(1,1); and four Ce(2,2) atoms to form CeCe4Mg8 cuboctahedra that share corners with six equivalent Ce(1)Ce4Mg8 cuboctahedra; edges with four equivalent Mg(2)Ce8Mg4 cuboctahedra; edges with six equivalent Ce(1)Ce4Mg8 cuboctahedra; edges with eight Ce(2,2)Ce5Mg7 cuboctahedra; faces with four equivalent Mg(2)Ce8Mg4 cuboctahedra; and faces with eight Ce(2,2)Ce5Mg7 cuboctahedra. In the second Ce site, Ce(2) is bonded to three equivalent Mg(2); four Mg(1,1); two equivalent Ce(1); and three Ce(2,2) atoms to form distorted CeCe5Mg7 cuboctahedra that share corners with six equivalent Mg(2)Ce8Mg4 cuboctahedra; corners with twelve Ce(2,2)Ce5Mg7 cuboctahedra; edges with four equivalent Ce(1)Ce4Mg8 cuboctahedra; edges with six Ce(2,2)Ce5Mg7 cuboctahedra; faces with four equivalent Mg(2)Ce8Mg4 cuboctahedra; faces with four equivalent Ce(1)Ce4Mg8 cuboctahedra; and faces with four Ce(2,2)Ce5Mg7 cuboctahedra. In the third Ce site, Ce(2) is bonded to three equivalent Mg(2); four Mg(1,1); two equivalent Ce(1); and three Ce(2,2) atoms to form distorted CeCe5Mg7 cuboctahedra that share corners with six equivalent Mg(2)Ce8Mg4 cuboctahedra; corners with twelve Ce(2,2)Ce5Mg7 cuboctahedra; edges with four equivalent Ce(1)Ce4Mg8 cuboctahedra; edges with six Ce(2,2)Ce5Mg7 cuboctahedra; faces with four equivalent Mg(2)Ce8Mg4 cuboctahedra; faces with four equivalent Ce(1)Ce4Mg8 cuboctahedra; and faces with four Ce(2,2)Ce5Mg7 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.922
_cell_length_c   6.647
_cell_angle_alpha   60.786
_cell_angle_beta   60.786
_cell_angle_gamma   59.568
_symmetry_Int_Tables_number   1
_cell_volume   166.193
_cell_formula_units_Z   3
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  0.336  0.664  0.000  1.0
  Ce  Ce1  1  0.167  0.165  0.504  1.0
  Ce  Ce2  1  0.835  0.833  0.496  1.0
  Mg  Mg3  1  0.659  0.001  0.998  1.0
  Mg  Mg4  1  0.999  0.341  0.002  1.0
  Mg  Mg5  1  0.503  0.497  0.500  1.0
[/CIF]
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