Materials Data on CeUB8 by Materials Project

Abstract

UCeB8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U3+ is bonded in a 12-coordinate geometry to eighteen B+0.75- atoms. There are a spread of U–B bond distances ranging from 2.70–3.02 Å. Ce3+ is bonded in a 12-coordinate geometry to eighteen B+0.75- atoms. There are a spread of Ce–B bond distances ranging from 2.72–3.01 Å. There are five inequivalent B+0.75- sites. In the first B+0.75- site, B+0.75- is bonded in a 1-coordinate geometry to two equivalent U3+, two equivalent Ce3+, and five B+0.75- atoms. There are a spread of B–B bond distances ranging from 1.61–1.77 Å. In the second B+0.75- site, B+0.75- is bonded in a 9-coordinate geometry to two equivalent U3+, two equivalent Ce3+, and five B+0.75- atoms. There are a spread of B–B bond distances ranging from 1.70–1.85 Å. In the third B+0.75- site, B+0.75- is bonded in a 9-coordinate geometry to two equivalent U3+, two equivalent Ce3+, and five B+0.75- atoms. The B–B bond length is 1.71 Å. In the fourth B+0.75- site, B+0.75- is bonded in a distorted trigonal planar geometry to four equivalent U3+, two equivalent Ce3+, and three B+0.75- atoms. The B–B bond length is 1.75 Å. In the fifth B+0.75- site, B+0.75- is bonded in a 3-coordinate geometry to two equivalent U3+, four equivalent Ce3+, and three B+0.75- atoms. The B–B bond length is 1.78 Å.