The crystal structure described by CuHg2Ti crystallizes in the cubic F-43m space group. Ti(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cu(1), four equivalent Hg(1), and six equivalent Hg(2) atoms. Cu(1) is bonded in a body-centered cubic geometry to four equivalent Ti(1) and four equivalent Hg(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Ti(1) and four equivalent Hg(2) atoms to form distorted edge-sharing HgTi4Hg4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 14-coordinate geometry to six equivalent Ti(1), four equivalent Cu(1), and four equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_TiCuHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.666
_cell_length_b   4.666
_cell_length_c   4.666
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   71.816
_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  0.750  0.750  0.750  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Hg  Hg2  1  0.000  0.000  0.000  1.0
  Hg  Hg3  1  0.250  0.250  0.250  1.0
[/CIF]
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The crystal structure described by CuHg2Ti crystallizes in the cubic F-43m space group. Ti(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cu(1), four equivalent Hg(1), and six equivalent Hg(2) atoms. Cu(1) is bonded in a body-centered cubic geometry to four equivalent Ti(1) and four equivalent Hg(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Ti(1) and four equivalent Hg(2) atoms to form distorted edge-sharing HgTi4Hg4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 14-coordinate geometry to six equivalent Ti(1), four equivalent Cu(1), and four equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_TiCuHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.666
_cell_length_b   4.666
_cell_length_c   4.666
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   71.816
_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  0.750  0.750  0.750  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Hg  Hg2  1  0.000  0.000  0.000  1.0
  Hg  Hg3  1  0.250  0.250  0.250  1.0
[/CIF]
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