The compound described by HgCd3 crystallizes in the hexagonal P-6m2 space group. Hg(1) is bonded to six equivalent Hg(1) and six equivalent Cd(2) atoms to form HgCd6Hg6 cuboctahedra that share corners with six equivalent Hg(1)Cd6Hg6 cuboctahedra, corners with twelve equivalent Cd(1)Cd12 cuboctahedra, edges with six equivalent Hg(1)Cd6Hg6 cuboctahedra, edges with twelve equivalent Cd(2)Cd9Hg3 cuboctahedra, faces with two equivalent Cd(1)Cd12 cuboctahedra, faces with six equivalent Hg(1)Cd6Hg6 cuboctahedra, and faces with twelve equivalent Cd(2)Cd9Hg3 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to six equivalent Cd(1) and six equivalent Cd(2) atoms to form CdCd12 cuboctahedra that share corners with six equivalent Cd(1)Cd12 cuboctahedra, corners with twelve equivalent Hg(1)Cd6Hg6 cuboctahedra, edges with six equivalent Cd(1)Cd12 cuboctahedra, edges with twelve equivalent Cd(2)Cd9Hg3 cuboctahedra, faces with two equivalent Hg(1)Cd6Hg6 cuboctahedra, faces with six equivalent Cd(1)Cd12 cuboctahedra, and faces with twelve equivalent Cd(2)Cd9Hg3 cuboctahedra. In the second Cd site, Cd(2) is bonded to three equivalent Hg(1), three equivalent Cd(1), and six equivalent Cd(2) atoms to form CdCd9Hg3 cuboctahedra that share corners with eighteen equivalent Cd(2)Cd9Hg3 cuboctahedra, edges with six equivalent Hg(1)Cd6Hg6 cuboctahedra, edges with six equivalent Cd(1)Cd12 cuboctahedra, edges with six equivalent Cd(2)Cd9Hg3 cuboctahedra, faces with six equivalent Hg(1)Cd6Hg6 cuboctahedra, faces with six equivalent Cd(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(2)Cd9Hg3 cuboctahedra. is represented by the CIF card [CIF]
data_Cd3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.066
_cell_length_b   3.066
_cell_length_c   11.016
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   89.697
_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
  Cd  Cd0  1  0.000  1.000  0.000  1.0
  Cd  Cd1  1  0.333  0.667  0.755  1.0
  Cd  Cd2  1  0.333  0.667  0.245  1.0
  Hg  Hg3  1  0.000  1.000  0.500  1.0
[/CIF]
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The compound described by HgCd3 crystallizes in the hexagonal P-6m2 space group. Hg(1) is bonded to six equivalent Hg(1) and six equivalent Cd(2) atoms to form HgCd6Hg6 cuboctahedra that share corners with six equivalent Hg(1)Cd6Hg6 cuboctahedra, corners with twelve equivalent Cd(1)Cd12 cuboctahedra, edges with six equivalent Hg(1)Cd6Hg6 cuboctahedra, edges with twelve equivalent Cd(2)Cd9Hg3 cuboctahedra, faces with two equivalent Cd(1)Cd12 cuboctahedra, faces with six equivalent Hg(1)Cd6Hg6 cuboctahedra, and faces with twelve equivalent Cd(2)Cd9Hg3 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to six equivalent Cd(1) and six equivalent Cd(2) atoms to form CdCd12 cuboctahedra that share corners with six equivalent Cd(1)Cd12 cuboctahedra, corners with twelve equivalent Hg(1)Cd6Hg6 cuboctahedra, edges with six equivalent Cd(1)Cd12 cuboctahedra, edges with twelve equivalent Cd(2)Cd9Hg3 cuboctahedra, faces with two equivalent Hg(1)Cd6Hg6 cuboctahedra, faces with six equivalent Cd(1)Cd12 cuboctahedra, and faces with twelve equivalent Cd(2)Cd9Hg3 cuboctahedra. In the second Cd site, Cd(2) is bonded to three equivalent Hg(1), three equivalent Cd(1), and six equivalent Cd(2) atoms to form CdCd9Hg3 cuboctahedra that share corners with eighteen equivalent Cd(2)Cd9Hg3 cuboctahedra, edges with six equivalent Hg(1)Cd6Hg6 cuboctahedra, edges with six equivalent Cd(1)Cd12 cuboctahedra, edges with six equivalent Cd(2)Cd9Hg3 cuboctahedra, faces with six equivalent Hg(1)Cd6Hg6 cuboctahedra, faces with six equivalent Cd(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(2)Cd9Hg3 cuboctahedra. is represented by the CIF card [CIF]
data_Cd3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.066
_cell_length_b   3.066
_cell_length_c   11.016
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   89.697
_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
  Cd  Cd0  1  0.000  1.000  0.000  1.0
  Cd  Cd1  1  0.333  0.667  0.755  1.0
  Cd  Cd2  1  0.333  0.667  0.245  1.0
  Hg  Hg3  1  0.000  1.000  0.500  1.0
[/CIF]
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