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DOE OSTI · 1310614

Materials Data on UTlO3 by Materials Project

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Abstract

UTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U5+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.18 Å. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent UO6 octahedra. All Tl–O bond lengths are 3.08 Å. O2- is bonded in a distorted linear geometry to two equivalent U5+ and four equivalent Tl1+ atoms.

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36 MATERIALS SCIENCEcrystal structureO-Tl-UUTlO3

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2020-07-23. Materials Data on UTlO3 by Materials Project. https://doi.org/10.17188/1310614

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