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DOE OSTI · 1318129

Materials Data on YTiO3 by Materials Project

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Abstract

YTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Y–O bond lengths are 2.75 Å. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent Ti3+ atoms.

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36 MATERIALS SCIENCEcrystal structureO-Ti-YYTiO3

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2020-07-21. Materials Data on YTiO3 by Materials Project. https://doi.org/10.17188/1318129

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