Materials Data on BaUTe6 by Materials Project

Abstract

BaUTe6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten Te1- atoms. There are a spread of Ba–Te bond distances ranging from 3.56–4.24 Å. U4+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.14–3.20 Å. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 3-coordinate geometry to one Ba2+, two equivalent U4+, and one Te1- atom. The Te–Te bond length is 2.88 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one U4+, and one Te1- atom. In the third Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and one U4+ atom. In the fourth Te1- site, Te1- is bonded in a 3-coordinate geometry to one Ba2+, two equivalent U4+, and one Te1- atom. The Te–Te bond length is 3.16 Å. In the fifth Te1- site, Te1- is bonded in a 3-coordinate geometry to two equivalent Ba2+, two equivalent U4+, and one Te1- atom. The Te–Te bond length is 2.92 Å. In the sixth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one U4+, and two Te1- atoms.