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DOE OSTI · 1680855

Materials Data on UTiO3 by Materials Project

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Abstract

UTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U4+ is bonded to twelve equivalent O2- atoms to form UO12 cuboctahedra that share corners with twelve equivalent UO12 cuboctahedra, faces with six equivalent UO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All U–O bond lengths are 2.77 Å. Ti2+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent UO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent U4+ and two equivalent Ti2+ atoms.

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36 MATERIALS SCIENCEcrystal structureO-Ti-UUTiO3

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2020-05-03. Materials Data on UTiO3 by Materials Project. https://doi.org/10.17188/1680855

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