The structure described by MgTi2HgO6Hg crystallizes in the triclinic P1 space group. The structure consists of one 7439-97-6 atom inside a MgTi2HgO6 framework. In the MgTi2HgO6 framework, Mg(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO4 tetrahedra that share corners with two equivalent Ti(2)O4 tetrahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted TiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O4 tetrahedra, corners with three equivalent Ti(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form TiO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with three equivalent Ti(1)O5 trigonal bipyramids. Hg(2) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(2) and one Hg(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one Hg(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mg(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_MgTi2(HgO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.873
_cell_length_b   8.455
_cell_length_c   7.226
_cell_angle_alpha   42.374
_cell_angle_beta   53.596
_cell_angle_gamma   45.873
_symmetry_Int_Tables_number   1
_cell_volume   171.239
_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
  Mg  Mg0  1  0.757  0.895  0.911  1.0
  Ti  Ti1  1  0.419  0.506  0.590  1.0
  Ti  Ti2  1  0.012  0.107  0.001  1.0
  Hg  Hg3  1  0.543  0.814  0.648  1.0
  Hg  Hg4  1  0.247  0.393  0.300  1.0
  O  O5  1  0.216  0.751  0.271  1.0
  O  O6  1  0.742  0.284  0.160  1.0
  O  O7  1  0.334  0.220  0.766  1.0
  O  O8  1  0.777  0.169  0.840  1.0
  O  O9  1  0.744  0.623  0.321  1.0
  O  O10  1  0.138  0.667  0.763  1.0
[/CIF]
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The structure described by MgTi2HgO6Hg crystallizes in the triclinic P1 space group. The structure consists of one 7439-97-6 atom inside a MgTi2HgO6 framework. In the MgTi2HgO6 framework, Mg(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO4 tetrahedra that share corners with two equivalent Ti(2)O4 tetrahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted TiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O4 tetrahedra, corners with three equivalent Ti(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form TiO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with three equivalent Ti(1)O5 trigonal bipyramids. Hg(2) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(2) and one Hg(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one Hg(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mg(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_MgTi2(HgO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.873
_cell_length_b   8.455
_cell_length_c   7.226
_cell_angle_alpha   42.374
_cell_angle_beta   53.596
_cell_angle_gamma   45.873
_symmetry_Int_Tables_number   1
_cell_volume   171.239
_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
  Mg  Mg0  1  0.757  0.895  0.911  1.0
  Ti  Ti1  1  0.419  0.506  0.590  1.0
  Ti  Ti2  1  0.012  0.107  0.001  1.0
  Hg  Hg3  1  0.543  0.814  0.648  1.0
  Hg  Hg4  1  0.247  0.393  0.300  1.0
  O  O5  1  0.216  0.751  0.271  1.0
  O  O6  1  0.742  0.284  0.160  1.0
  O  O7  1  0.334  0.220  0.766  1.0
  O  O8  1  0.777  0.169  0.840  1.0
  O  O9  1  0.744  0.623  0.321  1.0
  O  O10  1  0.138  0.667  0.763  1.0
[/CIF]
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