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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiSnO3 by Materials Project

SnTiO3 is beta Vanadium nitride-derived structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three SnTiO3 sheets oriented in the (0, 0, 1) direction. Ti4+ is bonded to six equivalent O2- atoms to form edge-sharing TiO6 octahedra. There is three shorter (1.96 Å) and three longer (1.99 Å) Ti–O bond length. Sn2+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sn–O bond lengths are 2.16 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Sn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiSnO3 by Materials Project

SnTiO3 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 SnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.98 Å. Sn2+ is bonded to twelve equivalent O2- atoms to form SnO12 cuboctahedra that share corners with twelve equivalent SnO12 cuboctahedra, faces with six equivalent SnO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Sn–O bond lengths are 2.79 Å. O2- is bonded in a linear geometry to two equivalent Ti4+ and four equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗