The material described by MgCd5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six equivalent Cd(1) and six equivalent Cd(2) atoms to form MgCd12 cuboctahedra that share corners with eighteen equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with six equivalent Mg(1)Cd12 cuboctahedra, edges with twelve equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with two equivalent Mg(1)Cd12 cuboctahedra, faces with six equivalent Cd(2)Mg3Cd9 cuboctahedra, and faces with twelve equivalent Cd(1)Mg2Cd10 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent Mg(1), four equivalent Cd(2), and six equivalent Cd(1) atoms to form CdMg2Cd10 cuboctahedra that share corners with eighteen equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with four equivalent Mg(1)Cd12 cuboctahedra, edges with six equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with eight equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with four equivalent Mg(1)Cd12 cuboctahedra, faces with eight equivalent Cd(1)Mg2Cd10 cuboctahedra, and faces with eight equivalent Cd(2)Mg3Cd9 cuboctahedra. In the second Cd site, Cd(2) is bonded to three equivalent Mg(1), three equivalent Cd(2), and six equivalent Cd(1) atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with nine equivalent Mg(1)Cd12 cuboctahedra, corners with nine equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with six equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with twelve equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with three equivalent Mg(1)Cd12 cuboctahedra, faces with five equivalent Cd(2)Mg3Cd9 cuboctahedra, and faces with twelve equivalent Cd(1)Mg2Cd10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.183
_cell_length_b   5.183
_cell_length_c   5.564
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   129.473
_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
  Mg  Mg0  1  0.000  0.000  0.500  1.0
  Cd  Cd1  1  0.000  0.332  0.000  1.0
  Cd  Cd2  1  0.668  0.668  0.000  1.0
  Cd  Cd3  1  0.332  0.000  0.000  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 MgCd5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six equivalent Cd(1) and six equivalent Cd(2) atoms to form MgCd12 cuboctahedra that share corners with eighteen equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with six equivalent Mg(1)Cd12 cuboctahedra, edges with twelve equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with two equivalent Mg(1)Cd12 cuboctahedra, faces with six equivalent Cd(2)Mg3Cd9 cuboctahedra, and faces with twelve equivalent Cd(1)Mg2Cd10 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent Mg(1), four equivalent Cd(2), and six equivalent Cd(1) atoms to form CdMg2Cd10 cuboctahedra that share corners with eighteen equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with four equivalent Mg(1)Cd12 cuboctahedra, edges with six equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with eight equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with four equivalent Mg(1)Cd12 cuboctahedra, faces with eight equivalent Cd(1)Mg2Cd10 cuboctahedra, and faces with eight equivalent Cd(2)Mg3Cd9 cuboctahedra. In the second Cd site, Cd(2) is bonded to three equivalent Mg(1), three equivalent Cd(2), and six equivalent Cd(1) atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with nine equivalent Mg(1)Cd12 cuboctahedra, corners with nine equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with six equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with twelve equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with three equivalent Mg(1)Cd12 cuboctahedra, faces with five equivalent Cd(2)Mg3Cd9 cuboctahedra, and faces with twelve equivalent Cd(1)Mg2Cd10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.183
_cell_length_b   5.183
_cell_length_c   5.564
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   129.473
_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
  Mg  Mg0  1  0.000  0.000  0.500  1.0
  Cd  Cd1  1  0.000  0.332  0.000  1.0
  Cd  Cd2  1  0.668  0.668  0.000  1.0
  Cd  Cd3  1  0.332  0.000  0.000  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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