The structure described by TiAgHg2 crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to four equivalent Ag(1) and eight equivalent Hg(1) atoms to form TiAg4Hg8 cuboctahedra that share corners with twelve equivalent Ti(1)Ag4Hg8 cuboctahedra, edges with eight equivalent Ag(1)Ti4Hg8 cuboctahedra, edges with sixteen equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra, faces with four equivalent Ag(1)Ti4Hg8 cuboctahedra, faces with six equivalent Ti(1)Ag4Hg8 cuboctahedra, and faces with eight equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra. Ag(1) is bonded to four equivalent Ti(1) and eight equivalent Hg(1) atoms to form AgTi4Hg8 cuboctahedra that share corners with twelve equivalent Ag(1)Ti4Hg8 cuboctahedra, edges with eight equivalent Ti(1)Ag4Hg8 cuboctahedra, edges with sixteen equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra, faces with four equivalent Ti(1)Ag4Hg8 cuboctahedra, faces with six equivalent Ag(1)Ti4Hg8 cuboctahedra, and faces with eight equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra. Hg(1) is bonded to four equivalent Ti(1), four equivalent Ag(1), and four equivalent Hg(1) atoms to form distorted HgTi4Ag4Hg4 cuboctahedra that share corners with twelve equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra, edges with eight equivalent Ti(1)Ag4Hg8 cuboctahedra, edges with eight equivalent Ag(1)Ti4Hg8 cuboctahedra, edges with eight equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra, faces with four equivalent Ti(1)Ag4Hg8 cuboctahedra, faces with four equivalent Ag(1)Ti4Hg8 cuboctahedra, and faces with ten equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra. is represented by the CIF card [CIF]
data_TiAgHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.163
_cell_length_b   4.393
_cell_length_c   4.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.342
_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  0.500  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.000  1.0
  Hg  Hg2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.500  0.000  0.500  1.0
[/CIF]
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The structure described by TiAgHg2 crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to four equivalent Ag(1) and eight equivalent Hg(1) atoms to form TiAg4Hg8 cuboctahedra that share corners with twelve equivalent Ti(1)Ag4Hg8 cuboctahedra, edges with eight equivalent Ag(1)Ti4Hg8 cuboctahedra, edges with sixteen equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra, faces with four equivalent Ag(1)Ti4Hg8 cuboctahedra, faces with six equivalent Ti(1)Ag4Hg8 cuboctahedra, and faces with eight equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra. Ag(1) is bonded to four equivalent Ti(1) and eight equivalent Hg(1) atoms to form AgTi4Hg8 cuboctahedra that share corners with twelve equivalent Ag(1)Ti4Hg8 cuboctahedra, edges with eight equivalent Ti(1)Ag4Hg8 cuboctahedra, edges with sixteen equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra, faces with four equivalent Ti(1)Ag4Hg8 cuboctahedra, faces with six equivalent Ag(1)Ti4Hg8 cuboctahedra, and faces with eight equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra. Hg(1) is bonded to four equivalent Ti(1), four equivalent Ag(1), and four equivalent Hg(1) atoms to form distorted HgTi4Ag4Hg4 cuboctahedra that share corners with twelve equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra, edges with eight equivalent Ti(1)Ag4Hg8 cuboctahedra, edges with eight equivalent Ag(1)Ti4Hg8 cuboctahedra, edges with eight equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra, faces with four equivalent Ti(1)Ag4Hg8 cuboctahedra, faces with four equivalent Ag(1)Ti4Hg8 cuboctahedra, and faces with ten equivalent Hg(1)Ti4Ag4Hg4 cuboctahedra. is represented by the CIF card [CIF]
data_TiAgHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.163
_cell_length_b   4.393
_cell_length_c   4.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.342
_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  0.500  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.000  1.0
  Hg  Hg2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.500  0.000  0.500  1.0
[/CIF]
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