The material described by HgTiO3 is Hydrophilite-derived structured and crystallizes in the trigonal R-3c space group. Ti(1) is bonded to six equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 26°. Hg(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Hg(1) atom. is represented by the CIF card [CIF]
data_TiHgO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.447
_cell_length_b   5.447
_cell_length_c   5.578
_cell_angle_alpha   60.774
_cell_angle_beta   60.774
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   118.344
_cell_formula_units_Z   2
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
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  Hg  Hg2  1  0.250  0.250  0.250  1.0
  Hg  Hg3  1  0.750  0.750  0.750  1.0
  O  O4  1  0.668  0.250  0.250  1.0
  O  O5  1  0.250  0.832  0.250  1.0
  O  O6  1  0.832  0.668  0.250  1.0
  O  O7  1  0.332  0.750  0.750  1.0
  O  O8  1  0.168  0.332  0.750  1.0
  O  O9  1  0.750  0.168  0.750  1.0
[/CIF]
.
The material described by HgTiO3 is Hydrophilite-derived structured and crystallizes in the trigonal R-3c space group. Ti(1) is bonded to six equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 26°. Hg(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Hg(1) atom. is represented by the CIF card [CIF]
data_TiHgO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.447
_cell_length_b   5.447
_cell_length_c   5.578
_cell_angle_alpha   60.774
_cell_angle_beta   60.774
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   118.344
_cell_formula_units_Z   2
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
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  Hg  Hg2  1  0.250  0.250  0.250  1.0
  Hg  Hg3  1  0.750  0.750  0.750  1.0
  O  O4  1  0.668  0.250  0.250  1.0
  O  O5  1  0.250  0.832  0.250  1.0
  O  O6  1  0.832  0.668  0.250  1.0
  O  O7  1  0.332  0.750  0.750  1.0
  O  O8  1  0.168  0.332  0.750  1.0
  O  O9  1  0.750  0.168  0.750  1.0
[/CIF]
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