Materials Data on LiUO3 by Materials Project

Abstract

LiUO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent UO5 square pyramids and corners with two equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–1.99 Å. U5+ is bonded to five O2- atoms to form UO5 square pyramids that share corners with six equivalent LiO4 tetrahedra and edges with two equivalent UO5 square pyramids. There are a spread of U–O bond distances ranging from 1.97–2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent U5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one U5+ atom.