The material described by Mg2Cd crystallizes in the hexagonal P-62m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2); six Mg(1,1); and four equivalent Cd(1) atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with eighteen Mg(1,1)Mg8Cd4 cuboctahedra; edges with four equivalent Mg(2)Mg6Cd6 cuboctahedra; edges with six equivalent Mg(1)Mg8Cd4 cuboctahedra; edges with eight equivalent Cd(1)Mg9Cd3 cuboctahedra; faces with four equivalent Mg(2)Mg6Cd6 cuboctahedra; faces with eight Mg(1,1)Mg8Cd4 cuboctahedra; and faces with eight equivalent Cd(1)Mg9Cd3 cuboctahedra. In the second Mg site, Mg(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Cd(1) atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg8Cd4 cuboctahedra; edges with four equivalent Mg(2)Mg6Cd6 cuboctahedra; edges with six equivalent Mg(1)Mg8Cd4 cuboctahedra; edges with eight equivalent Cd(1)Mg9Cd3 cuboctahedra; faces with four equivalent Mg(2)Mg6Cd6 cuboctahedra; faces with eight Mg(1,1)Mg8Cd4 cuboctahedra; and faces with eight equivalent Cd(1)Mg9Cd3 cuboctahedra. In the third Mg site, Mg(2) is bonded to six Mg(1,1) and six equivalent Cd(1) atoms to form MgMg6Cd6 cuboctahedra that share corners with eighteen equivalent Cd(1)Mg9Cd3 cuboctahedra; edges with six equivalent Mg(2)Mg6Cd6 cuboctahedra; edges with twelve Mg(1,1)Mg8Cd4 cuboctahedra; faces with two equivalent Mg(2)Mg6Cd6 cuboctahedra; faces with six equivalent Cd(1)Mg9Cd3 cuboctahedra; and faces with twelve Mg(1,1)Mg8Cd4 cuboctahedra. Cd(1) is bonded to three equivalent Mg(2); six Mg(1,1); and three equivalent Cd(1) atoms to form distorted CdMg9Cd3 cuboctahedra that share corners with nine equivalent Mg(2)Mg6Cd6 cuboctahedra; corners with nine equivalent Cd(1)Mg9Cd3 cuboctahedra; edges with six equivalent Cd(1)Mg9Cd3 cuboctahedra; edges with twelve Mg(1,1)Mg8Cd4 cuboctahedra; faces with three equivalent Mg(2)Mg6Cd6 cuboctahedra; faces with five equivalent Cd(1)Mg9Cd3 cuboctahedra; and faces with twelve Mg(1,1)Mg8Cd4 cuboctahedra. is represented by the CIF card [CIF]
data_Mg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.426
_cell_length_b   5.426
_cell_length_c   5.035
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.377
_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
  Mg  Mg0  1  0.340  0.340  0.000  1.0
  Mg  Mg1  1  0.000  0.660  0.000  1.0
  Mg  Mg2  1  0.660  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.000  0.500  1.0
  Cd  Cd4  1  0.667  0.333  0.500  1.0
  Cd  Cd5  1  0.333  0.667  0.500  1.0
[/CIF]
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The material described by Mg2Cd crystallizes in the hexagonal P-62m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2); six Mg(1,1); and four equivalent Cd(1) atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with eighteen Mg(1,1)Mg8Cd4 cuboctahedra; edges with four equivalent Mg(2)Mg6Cd6 cuboctahedra; edges with six equivalent Mg(1)Mg8Cd4 cuboctahedra; edges with eight equivalent Cd(1)Mg9Cd3 cuboctahedra; faces with four equivalent Mg(2)Mg6Cd6 cuboctahedra; faces with eight Mg(1,1)Mg8Cd4 cuboctahedra; and faces with eight equivalent Cd(1)Mg9Cd3 cuboctahedra. In the second Mg site, Mg(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Cd(1) atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg8Cd4 cuboctahedra; edges with four equivalent Mg(2)Mg6Cd6 cuboctahedra; edges with six equivalent Mg(1)Mg8Cd4 cuboctahedra; edges with eight equivalent Cd(1)Mg9Cd3 cuboctahedra; faces with four equivalent Mg(2)Mg6Cd6 cuboctahedra; faces with eight Mg(1,1)Mg8Cd4 cuboctahedra; and faces with eight equivalent Cd(1)Mg9Cd3 cuboctahedra. In the third Mg site, Mg(2) is bonded to six Mg(1,1) and six equivalent Cd(1) atoms to form MgMg6Cd6 cuboctahedra that share corners with eighteen equivalent Cd(1)Mg9Cd3 cuboctahedra; edges with six equivalent Mg(2)Mg6Cd6 cuboctahedra; edges with twelve Mg(1,1)Mg8Cd4 cuboctahedra; faces with two equivalent Mg(2)Mg6Cd6 cuboctahedra; faces with six equivalent Cd(1)Mg9Cd3 cuboctahedra; and faces with twelve Mg(1,1)Mg8Cd4 cuboctahedra. Cd(1) is bonded to three equivalent Mg(2); six Mg(1,1); and three equivalent Cd(1) atoms to form distorted CdMg9Cd3 cuboctahedra that share corners with nine equivalent Mg(2)Mg6Cd6 cuboctahedra; corners with nine equivalent Cd(1)Mg9Cd3 cuboctahedra; edges with six equivalent Cd(1)Mg9Cd3 cuboctahedra; edges with twelve Mg(1,1)Mg8Cd4 cuboctahedra; faces with three equivalent Mg(2)Mg6Cd6 cuboctahedra; faces with five equivalent Cd(1)Mg9Cd3 cuboctahedra; and faces with twelve Mg(1,1)Mg8Cd4 cuboctahedra. is represented by the CIF card [CIF]
data_Mg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.426
_cell_length_b   5.426
_cell_length_c   5.035
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.377
_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
  Mg  Mg0  1  0.340  0.340  0.000  1.0
  Mg  Mg1  1  0.000  0.660  0.000  1.0
  Mg  Mg2  1  0.660  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.000  0.500  1.0
  Cd  Cd4  1  0.667  0.333  0.500  1.0
  Cd  Cd5  1  0.333  0.667  0.500  1.0
[/CIF]
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