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DOE OSTI2020

Materials Data on TiHgO3 by Materials Project

HgTiO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 26°. All Ti–O bond lengths are 2.00 Å. Hg2+ is bonded in a distorted trigonal planar geometry to three equivalent O2- atoms. All Hg–O bond lengths are 2.28 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Ti4+ and one Hg2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiHgO3 by Materials Project

HgTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.96 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Hg–O bond lengths are 2.77 Å. O2- is bonded in a distorted linear geometry to two equivalent Ti4+ and four equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗