The compound described by CeMg crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Ce(1), two equivalent Ce(2), and four equivalent Ce(3) atoms to form distorted MgCe8Mg2 cuboctahedra that share corners with two equivalent Ce(1)Ce4Mg8 cuboctahedra, corners with four equivalent Mg(3)Ce8Mg4 cuboctahedra, corners with six equivalent Mg(1)Ce8Mg2 cuboctahedra, corners with six equivalent Ce(2)Ce6Mg6 cuboctahedra, edges with two equivalent Mg(1)Ce8Mg2 cuboctahedra, edges with three equivalent Ce(2)Ce6Mg6 cuboctahedra, edges with four equivalent Mg(3)Ce8Mg4 cuboctahedra, edges with four equivalent Ce(3)Ce4Mg8 cuboctahedra, edges with five equivalent Ce(1)Ce4Mg8 cuboctahedra, faces with two equivalent Mg(1)Ce8Mg2 cuboctahedra, faces with two equivalent Mg(3)Ce8Mg4 cuboctahedra, faces with two equivalent Ce(2)Ce6Mg6 cuboctahedra, and faces with four equivalent Ce(3)Ce4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Ce(3), and four equivalent Ce(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), two equivalent Ce(1), two equivalent Ce(3), and four equivalent Ce(2) atoms to form MgCe8Mg4 cuboctahedra that share corners with four equivalent Mg(1)Ce8Mg2 cuboctahedra, corners with six equivalent Mg(3)Ce8Mg4 cuboctahedra, corners with six equivalent Ce(3)Ce4Mg8 cuboctahedra, edges with three equivalent Ce(3)Ce4Mg8 cuboctahedra, edges with four equivalent Mg(1)Ce8Mg2 cuboctahedra, edges with four equivalent Ce(2)Ce6Mg6 cuboctahedra, faces with two equivalent Mg(1)Ce8Mg2 cuboctahedra, faces with two equivalent Ce(3)Ce4Mg8 cuboctahedra, faces with four equivalent Mg(3)Ce8Mg4 cuboctahedra, faces with four equivalent Ce(2)Ce6Mg6 cuboctahedra, and faces with six equivalent Ce(1)Ce4Mg8 cuboctahedra. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), two equivalent Ce(1), and two equivalent Ce(2) atoms to form CeCe4Mg8 cuboctahedra that share corners with two equivalent Mg(1)Ce8Mg2 cuboctahedra, corners with six equivalent Ce(1)Ce4Mg8 cuboctahedra, corners with six equivalent Ce(2)Ce6Mg6 cuboctahedra, edges with three equivalent Ce(2)Ce6Mg6 cuboctahedra, edges with five equivalent Mg(1)Ce8Mg2 cuboctahedra, edges with eight equivalent Ce(3)Ce4Mg8 cuboctahedra, faces with two equivalent Ce(3)Ce4Mg8 cuboctahedra, faces with two equivalent Ce(2)Ce6Mg6 cuboctahedra, faces with four equivalent Ce(1)Ce4Mg8 cuboctahedra, and faces with six equivalent Mg(3)Ce8Mg4 cuboctahedra. In the second Ce site, Ce(2) is bonded to two equivalent Mg(1), four equivalent Mg(3), two equivalent Ce(1), two equivalent Ce(2), and two equivalent Ce(3) atoms to form distorted CeCe6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Ce8Mg2 cuboctahedra, corners with six equivalent Ce(1)Ce4Mg8 cuboctahedra, corners with six equivalent Ce(2)Ce6Mg6 cuboctahedra, edges with three equivalent Mg(1)Ce8Mg2 cuboctahedra, edges with three equivalent Ce(1)Ce4Mg8 cuboctahedra, edges with four equivalent Mg(3)Ce8Mg4 cuboctahedra, faces with two equivalent Mg(1)Ce8Mg2 cuboctahedra, faces with two equivalent Ce(1)Ce4Mg8 cuboctahedra, faces with four equivalent Mg(3)Ce8Mg4 cuboctahedra, faces with four equivalent Ce(2)Ce6Mg6 cuboctahedra, and faces with six equivalent Ce(3)Ce4Mg8 cuboctahedra. In the third Ce site, Ce(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), two equivalent Ce(2), and two equivalent Ce(3) atoms to form distorted CeCe4Mg8 cuboctahedra that share corners with six equivalent Mg(3)Ce8Mg4 cuboctahedra, corners with six equivalent Ce(3)Ce4Mg8 cuboctahedra, edges with three equivalent Mg(3)Ce8Mg4 cuboctahedra, edges with four equivalent Mg(1)Ce8Mg2 cuboctahedra, edges with eight equivalent Ce(1)Ce4Mg8 cuboctahedra, faces with two equivalent Mg(3)Ce8Mg4 cuboctahedra, faces with two equivalent Ce(1)Ce4Mg8 cuboctahedra, faces with four equivalent Mg(1)Ce8Mg2 cuboctahedra, faces with four equivalent Ce(3)Ce4Mg8 cuboctahedra, and faces with six equivalent Ce(2)Ce6Mg6 cuboctahedra. is represented by the CIF card [CIF]
data_CeMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.175
_cell_length_b   5.752
_cell_length_c   8.769
_cell_angle_alpha   90.000
_cell_angle_beta   100.429
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.487
_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  0.007  0.000  0.014  1.0
  Ce  Ce1  1  0.652  0.000  0.303  1.0
  Ce  Ce2  1  0.783  0.500  0.566  1.0
  Mg  Mg3  1  0.334  0.000  0.668  1.0
  Mg  Mg4  1  0.451  0.500  0.903  1.0
  Mg  Mg5  1  0.106  0.500  0.212  1.0
[/CIF]
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The compound described by CeMg crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Ce(1), two equivalent Ce(2), and four equivalent Ce(3) atoms to form distorted MgCe8Mg2 cuboctahedra that share corners with two equivalent Ce(1)Ce4Mg8 cuboctahedra, corners with four equivalent Mg(3)Ce8Mg4 cuboctahedra, corners with six equivalent Mg(1)Ce8Mg2 cuboctahedra, corners with six equivalent Ce(2)Ce6Mg6 cuboctahedra, edges with two equivalent Mg(1)Ce8Mg2 cuboctahedra, edges with three equivalent Ce(2)Ce6Mg6 cuboctahedra, edges with four equivalent Mg(3)Ce8Mg4 cuboctahedra, edges with four equivalent Ce(3)Ce4Mg8 cuboctahedra, edges with five equivalent Ce(1)Ce4Mg8 cuboctahedra, faces with two equivalent Mg(1)Ce8Mg2 cuboctahedra, faces with two equivalent Mg(3)Ce8Mg4 cuboctahedra, faces with two equivalent Ce(2)Ce6Mg6 cuboctahedra, and faces with four equivalent Ce(3)Ce4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Ce(3), and four equivalent Ce(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), two equivalent Ce(1), two equivalent Ce(3), and four equivalent Ce(2) atoms to form MgCe8Mg4 cuboctahedra that share corners with four equivalent Mg(1)Ce8Mg2 cuboctahedra, corners with six equivalent Mg(3)Ce8Mg4 cuboctahedra, corners with six equivalent Ce(3)Ce4Mg8 cuboctahedra, edges with three equivalent Ce(3)Ce4Mg8 cuboctahedra, edges with four equivalent Mg(1)Ce8Mg2 cuboctahedra, edges with four equivalent Ce(2)Ce6Mg6 cuboctahedra, faces with two equivalent Mg(1)Ce8Mg2 cuboctahedra, faces with two equivalent Ce(3)Ce4Mg8 cuboctahedra, faces with four equivalent Mg(3)Ce8Mg4 cuboctahedra, faces with four equivalent Ce(2)Ce6Mg6 cuboctahedra, and faces with six equivalent Ce(1)Ce4Mg8 cuboctahedra. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), two equivalent Ce(1), and two equivalent Ce(2) atoms to form CeCe4Mg8 cuboctahedra that share corners with two equivalent Mg(1)Ce8Mg2 cuboctahedra, corners with six equivalent Ce(1)Ce4Mg8 cuboctahedra, corners with six equivalent Ce(2)Ce6Mg6 cuboctahedra, edges with three equivalent Ce(2)Ce6Mg6 cuboctahedra, edges with five equivalent Mg(1)Ce8Mg2 cuboctahedra, edges with eight equivalent Ce(3)Ce4Mg8 cuboctahedra, faces with two equivalent Ce(3)Ce4Mg8 cuboctahedra, faces with two equivalent Ce(2)Ce6Mg6 cuboctahedra, faces with four equivalent Ce(1)Ce4Mg8 cuboctahedra, and faces with six equivalent Mg(3)Ce8Mg4 cuboctahedra. In the second Ce site, Ce(2) is bonded to two equivalent Mg(1), four equivalent Mg(3), two equivalent Ce(1), two equivalent Ce(2), and two equivalent Ce(3) atoms to form distorted CeCe6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Ce8Mg2 cuboctahedra, corners with six equivalent Ce(1)Ce4Mg8 cuboctahedra, corners with six equivalent Ce(2)Ce6Mg6 cuboctahedra, edges with three equivalent Mg(1)Ce8Mg2 cuboctahedra, edges with three equivalent Ce(1)Ce4Mg8 cuboctahedra, edges with four equivalent Mg(3)Ce8Mg4 cuboctahedra, faces with two equivalent Mg(1)Ce8Mg2 cuboctahedra, faces with two equivalent Ce(1)Ce4Mg8 cuboctahedra, faces with four equivalent Mg(3)Ce8Mg4 cuboctahedra, faces with four equivalent Ce(2)Ce6Mg6 cuboctahedra, and faces with six equivalent Ce(3)Ce4Mg8 cuboctahedra. In the third Ce site, Ce(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), two equivalent Ce(2), and two equivalent Ce(3) atoms to form distorted CeCe4Mg8 cuboctahedra that share corners with six equivalent Mg(3)Ce8Mg4 cuboctahedra, corners with six equivalent Ce(3)Ce4Mg8 cuboctahedra, edges with three equivalent Mg(3)Ce8Mg4 cuboctahedra, edges with four equivalent Mg(1)Ce8Mg2 cuboctahedra, edges with eight equivalent Ce(1)Ce4Mg8 cuboctahedra, faces with two equivalent Mg(3)Ce8Mg4 cuboctahedra, faces with two equivalent Ce(1)Ce4Mg8 cuboctahedra, faces with four equivalent Mg(1)Ce8Mg2 cuboctahedra, faces with four equivalent Ce(3)Ce4Mg8 cuboctahedra, and faces with six equivalent Ce(2)Ce6Mg6 cuboctahedra. is represented by the CIF card [CIF]
data_CeMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.175
_cell_length_b   5.752
_cell_length_c   8.769
_cell_angle_alpha   90.000
_cell_angle_beta   100.429
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.487
_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  0.007  0.000  0.014  1.0
  Ce  Ce1  1  0.652  0.000  0.303  1.0
  Ce  Ce2  1  0.783  0.500  0.566  1.0
  Mg  Mg3  1  0.334  0.000  0.668  1.0
  Mg  Mg4  1  0.451  0.500  0.903  1.0
  Mg  Mg5  1  0.106  0.500  0.212  1.0
[/CIF]
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