The crystal structure described by CeMg2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Mg(2), four equivalent Mg(1), and five equivalent Ce(1) atoms to form MgCe5Mg7 cuboctahedra that share corners with six equivalent Mg(1)Ce5Mg7 cuboctahedra, corners with six equivalent Ce(1)Ce3Mg9 cuboctahedra, edges with five equivalent Ce(1)Ce3Mg9 cuboctahedra, edges with six equivalent Mg(1)Ce5Mg7 cuboctahedra, faces with five equivalent Mg(1)Ce5Mg7 cuboctahedra, and faces with eight equivalent Ce(1)Ce3Mg9 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 11-coordinate geometry to three equivalent Mg(1), four equivalent Mg(2), and four equivalent Ce(1) atoms. Ce(1) is bonded to four equivalent Mg(2), five equivalent Mg(1), and three equivalent Ce(1) atoms to form CeCe3Mg9 cuboctahedra that share corners with six equivalent Mg(1)Ce5Mg7 cuboctahedra, corners with six equivalent Ce(1)Ce3Mg9 cuboctahedra, edges with four equivalent Ce(1)Ce3Mg9 cuboctahedra, edges with five equivalent Mg(1)Ce5Mg7 cuboctahedra, faces with six equivalent Ce(1)Ce3Mg9 cuboctahedra, and faces with eight equivalent Mg(1)Ce5Mg7 cuboctahedra. is represented by the CIF card [CIF]
data_CeMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.818
_cell_length_b   6.818
_cell_length_c   7.435
_cell_angle_alpha   77.382
_cell_angle_beta   77.382
_cell_angle_gamma   26.972
_symmetry_Int_Tables_number   1
_cell_volume   152.780
_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  0.514  0.514  0.683  1.0
  Ce  Ce1  1  0.486  0.486  0.317  1.0
  Mg  Mg2  1  0.792  0.792  0.645  1.0
  Mg  Mg3  1  0.151  0.151  0.966  1.0
  Mg  Mg4  1  0.849  0.849  0.034  1.0
  Mg  Mg5  1  0.208  0.208  0.355  1.0
[/CIF]
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The crystal structure described by CeMg2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Mg(2), four equivalent Mg(1), and five equivalent Ce(1) atoms to form MgCe5Mg7 cuboctahedra that share corners with six equivalent Mg(1)Ce5Mg7 cuboctahedra, corners with six equivalent Ce(1)Ce3Mg9 cuboctahedra, edges with five equivalent Ce(1)Ce3Mg9 cuboctahedra, edges with six equivalent Mg(1)Ce5Mg7 cuboctahedra, faces with five equivalent Mg(1)Ce5Mg7 cuboctahedra, and faces with eight equivalent Ce(1)Ce3Mg9 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 11-coordinate geometry to three equivalent Mg(1), four equivalent Mg(2), and four equivalent Ce(1) atoms. Ce(1) is bonded to four equivalent Mg(2), five equivalent Mg(1), and three equivalent Ce(1) atoms to form CeCe3Mg9 cuboctahedra that share corners with six equivalent Mg(1)Ce5Mg7 cuboctahedra, corners with six equivalent Ce(1)Ce3Mg9 cuboctahedra, edges with four equivalent Ce(1)Ce3Mg9 cuboctahedra, edges with five equivalent Mg(1)Ce5Mg7 cuboctahedra, faces with six equivalent Ce(1)Ce3Mg9 cuboctahedra, and faces with eight equivalent Mg(1)Ce5Mg7 cuboctahedra. is represented by the CIF card [CIF]
data_CeMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.818
_cell_length_b   6.818
_cell_length_c   7.435
_cell_angle_alpha   77.382
_cell_angle_beta   77.382
_cell_angle_gamma   26.972
_symmetry_Int_Tables_number   1
_cell_volume   152.780
_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  0.514  0.514  0.683  1.0
  Ce  Ce1  1  0.486  0.486  0.317  1.0
  Mg  Mg2  1  0.792  0.792  0.645  1.0
  Mg  Mg3  1  0.151  0.151  0.966  1.0
  Mg  Mg4  1  0.849  0.849  0.034  1.0
  Mg  Mg5  1  0.208  0.208  0.355  1.0
[/CIF]
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