The compound described by TiHg2Zn is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to eight equivalent Hg(1) and four equivalent Zn(1) atoms to form distorted TiZn4Hg8 cuboctahedra that share corners with twelve equivalent Ti(1)Zn4Hg8 cuboctahedra, edges with eight equivalent Zn(1)Ti4Hg8 cuboctahedra, faces with four equivalent Zn(1)Ti4Hg8 cuboctahedra, and faces with six equivalent Ti(1)Zn4Hg8 cuboctahedra. Hg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1) and four equivalent Zn(1) atoms. Zn(1) is bonded to four equivalent Ti(1) and eight equivalent Hg(1) atoms to form ZnTi4Hg8 cuboctahedra that share corners with twelve equivalent Zn(1)Ti4Hg8 cuboctahedra, edges with eight equivalent Ti(1)Zn4Hg8 cuboctahedra, faces with four equivalent Ti(1)Zn4Hg8 cuboctahedra, and faces with six equivalent Zn(1)Ti4Hg8 cuboctahedra. is represented by the CIF card [CIF]
data_TiZnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.420
_cell_length_b   3.875
_cell_length_c   4.420
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.690
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.000  0.500  1.0
  Hg  Hg2  1  0.000  0.500  0.500  1.0
  Hg  Hg3  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by TiHg2Zn is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to eight equivalent Hg(1) and four equivalent Zn(1) atoms to form distorted TiZn4Hg8 cuboctahedra that share corners with twelve equivalent Ti(1)Zn4Hg8 cuboctahedra, edges with eight equivalent Zn(1)Ti4Hg8 cuboctahedra, faces with four equivalent Zn(1)Ti4Hg8 cuboctahedra, and faces with six equivalent Ti(1)Zn4Hg8 cuboctahedra. Hg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1) and four equivalent Zn(1) atoms. Zn(1) is bonded to four equivalent Ti(1) and eight equivalent Hg(1) atoms to form ZnTi4Hg8 cuboctahedra that share corners with twelve equivalent Zn(1)Ti4Hg8 cuboctahedra, edges with eight equivalent Ti(1)Zn4Hg8 cuboctahedra, faces with four equivalent Ti(1)Zn4Hg8 cuboctahedra, and faces with six equivalent Zn(1)Ti4Hg8 cuboctahedra. is represented by the CIF card [CIF]
data_TiZnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.420
_cell_length_b   3.875
_cell_length_c   4.420
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.690
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.000  0.500  1.0
  Hg  Hg2  1  0.000  0.500  0.500  1.0
  Hg  Hg3  1  0.500  0.500  0.000  1.0
[/CIF]
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