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DOE OSTI · 1193032

Materials Data on Ti(SnO2)2 by Materials Project

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Abstract

Sn2TiO4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There is two shorter (1.99 Å) and four longer (2.00 Å) Ti–O bond length. Sn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.12 Å) and one longer (2.24 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Ti4+ and two equivalent Sn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Sn2+ atom.

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36 MATERIALS SCIENCEcrystal structureO-Sn-TiTi(SnO2)2

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2020-07-18. Materials Data on Ti(SnO2)2 by Materials Project. https://doi.org/10.17188/1193032

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