The compound described by Ti3Hg4Zn is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1) and four equivalent Hg(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Hg(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1) and four equivalent Zn(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms. Zn(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3ZnHg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.110
_cell_length_b   3.110
_cell_length_c   15.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.211
_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  0.249  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  Ti  Ti2  1  0.500  0.500  0.751  1.0
  Zn  Zn3  1  0.500  0.500  0.000  1.0
  Hg  Hg4  1  0.000  0.000  0.876  1.0
  Hg  Hg5  1  0.000  0.000  0.124  1.0
  Hg  Hg6  1  0.000  0.000  0.374  1.0
  Hg  Hg7  1  0.000  0.000  0.626  1.0
[/CIF]
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The compound described by Ti3Hg4Zn is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1) and four equivalent Hg(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Hg(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1) and four equivalent Zn(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms. Zn(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3ZnHg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.110
_cell_length_b   3.110
_cell_length_c   15.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.211
_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  0.249  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  Ti  Ti2  1  0.500  0.500  0.751  1.0
  Zn  Zn3  1  0.500  0.500  0.000  1.0
  Hg  Hg4  1  0.000  0.000  0.876  1.0
  Hg  Hg5  1  0.000  0.000  0.124  1.0
  Hg  Hg6  1  0.000  0.000  0.374  1.0
  Hg  Hg7  1  0.000  0.000  0.626  1.0
[/CIF]
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