The compound described by TiHg2Cd crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to eight equivalent Hg(1) and four equivalent Cd(1) atoms to form TiCd4Hg8 cuboctahedra that share corners with twelve equivalent Ti(1)Cd4Hg8 cuboctahedra, corners with sixteen equivalent Hg(1)Ti4Cd4 cuboctahedra, edges with eight equivalent Hg(1)Ti4Cd4 cuboctahedra, edges with eight equivalent Cd(1)Ti4Hg8 cuboctahedra, faces with four equivalent Cd(1)Ti4Hg8 cuboctahedra, and faces with six equivalent Ti(1)Cd4Hg8 cuboctahedra. Hg(1) is bonded to four equivalent Ti(1) and four equivalent Cd(1) atoms to form distorted HgTi4Cd4 cuboctahedra that share corners with eight equivalent Ti(1)Cd4Hg8 cuboctahedra, corners with eight equivalent Hg(1)Ti4Cd4 cuboctahedra, corners with eight equivalent Cd(1)Ti4Hg8 cuboctahedra, edges with four equivalent Ti(1)Cd4Hg8 cuboctahedra, edges with four equivalent Cd(1)Ti4Hg8 cuboctahedra, edges with twelve equivalent Hg(1)Ti4Cd4 cuboctahedra, and faces with six equivalent Hg(1)Ti4Cd4 cuboctahedra. Cd(1) is bonded to four equivalent Ti(1) and eight equivalent Hg(1) atoms to form CdTi4Hg8 cuboctahedra that share corners with twelve equivalent Cd(1)Ti4Hg8 cuboctahedra, corners with sixteen equivalent Hg(1)Ti4Cd4 cuboctahedra, edges with eight equivalent Ti(1)Cd4Hg8 cuboctahedra, edges with eight equivalent Hg(1)Ti4Cd4 cuboctahedra, faces with four equivalent Ti(1)Cd4Hg8 cuboctahedra, and faces with six equivalent Cd(1)Ti4Hg8 cuboctahedra. is represented by the CIF card [CIF]
data_TiCdHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.468
_cell_length_b   4.468
_cell_length_c   4.147
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.806
_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
  Ti  Ti0  1  0.500  0.500  0.000  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Hg  Hg2  1  0.500  0.000  0.500  1.0
  Hg  Hg3  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by TiHg2Cd crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to eight equivalent Hg(1) and four equivalent Cd(1) atoms to form TiCd4Hg8 cuboctahedra that share corners with twelve equivalent Ti(1)Cd4Hg8 cuboctahedra, corners with sixteen equivalent Hg(1)Ti4Cd4 cuboctahedra, edges with eight equivalent Hg(1)Ti4Cd4 cuboctahedra, edges with eight equivalent Cd(1)Ti4Hg8 cuboctahedra, faces with four equivalent Cd(1)Ti4Hg8 cuboctahedra, and faces with six equivalent Ti(1)Cd4Hg8 cuboctahedra. Hg(1) is bonded to four equivalent Ti(1) and four equivalent Cd(1) atoms to form distorted HgTi4Cd4 cuboctahedra that share corners with eight equivalent Ti(1)Cd4Hg8 cuboctahedra, corners with eight equivalent Hg(1)Ti4Cd4 cuboctahedra, corners with eight equivalent Cd(1)Ti4Hg8 cuboctahedra, edges with four equivalent Ti(1)Cd4Hg8 cuboctahedra, edges with four equivalent Cd(1)Ti4Hg8 cuboctahedra, edges with twelve equivalent Hg(1)Ti4Cd4 cuboctahedra, and faces with six equivalent Hg(1)Ti4Cd4 cuboctahedra. Cd(1) is bonded to four equivalent Ti(1) and eight equivalent Hg(1) atoms to form CdTi4Hg8 cuboctahedra that share corners with twelve equivalent Cd(1)Ti4Hg8 cuboctahedra, corners with sixteen equivalent Hg(1)Ti4Cd4 cuboctahedra, edges with eight equivalent Ti(1)Cd4Hg8 cuboctahedra, edges with eight equivalent Hg(1)Ti4Cd4 cuboctahedra, faces with four equivalent Ti(1)Cd4Hg8 cuboctahedra, and faces with six equivalent Cd(1)Ti4Hg8 cuboctahedra. is represented by the CIF card [CIF]
data_TiCdHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.468
_cell_length_b   4.468
_cell_length_c   4.147
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.806
_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
  Ti  Ti0  1  0.500  0.500  0.000  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Hg  Hg2  1  0.500  0.000  0.500  1.0
  Hg  Hg3  1  0.000  0.500  0.500  1.0
[/CIF]
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