Materials Data on BaUTe4 by Materials Project

Abstract

BaUTe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.46–3.74 Å. U6+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.15–3.30 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent U6+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, two equivalent U6+, and one Te2- atom. The Te–Te bond length is 2.82 Å. In the third Te2- site, Te2- is bonded to three equivalent Ba2+ and two equivalent U6+ atoms to form a mixture of corner and edge-sharing TeBa3U2 trigonal bipyramids.