The material structure described by TiHg is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to four equivalent Ti(1) and eight equivalent Hg(1) atoms to form distorted TiTi4Hg8 cuboctahedra that share corners with twelve equivalent Ti(1)Ti4Hg8 cuboctahedra, edges with eight equivalent Ti(1)Ti4Hg8 cuboctahedra, edges with sixteen equivalent Hg(1)Ti8Hg4 cuboctahedra, faces with eight equivalent Hg(1)Ti8Hg4 cuboctahedra, and faces with ten equivalent Ti(1)Ti4Hg8 cuboctahedra. Hg(1) is bonded to eight equivalent Ti(1) and four equivalent Hg(1) atoms to form distorted HgTi8Hg4 cuboctahedra that share corners with twelve equivalent Hg(1)Ti8Hg4 cuboctahedra, edges with eight equivalent Hg(1)Ti8Hg4 cuboctahedra, edges with sixteen equivalent Ti(1)Ti4Hg8 cuboctahedra, faces with eight equivalent Ti(1)Ti4Hg8 cuboctahedra, and faces with ten equivalent Hg(1)Ti8Hg4 cuboctahedra. is represented by the CIF card [CIF]
data_TiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.016
_cell_length_b   3.016
_cell_length_c   4.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   37.294
_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
  Hg  Hg0  1  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by TiHg is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to four equivalent Ti(1) and eight equivalent Hg(1) atoms to form distorted TiTi4Hg8 cuboctahedra that share corners with twelve equivalent Ti(1)Ti4Hg8 cuboctahedra, edges with eight equivalent Ti(1)Ti4Hg8 cuboctahedra, edges with sixteen equivalent Hg(1)Ti8Hg4 cuboctahedra, faces with eight equivalent Hg(1)Ti8Hg4 cuboctahedra, and faces with ten equivalent Ti(1)Ti4Hg8 cuboctahedra. Hg(1) is bonded to eight equivalent Ti(1) and four equivalent Hg(1) atoms to form distorted HgTi8Hg4 cuboctahedra that share corners with twelve equivalent Hg(1)Ti8Hg4 cuboctahedra, edges with eight equivalent Hg(1)Ti8Hg4 cuboctahedra, edges with sixteen equivalent Ti(1)Ti4Hg8 cuboctahedra, faces with eight equivalent Ti(1)Ti4Hg8 cuboctahedra, and faces with ten equivalent Hg(1)Ti8Hg4 cuboctahedra. is represented by the CIF card [CIF]
data_TiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.016
_cell_length_b   3.016
_cell_length_c   4.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   37.294
_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
  Hg  Hg0  1  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
[/CIF]
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