Materials Data on U2CuTe6 by Materials Project

Abstract

U2CuTe6 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.25 Å. In the second U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.23 Å. Cu2+ is bonded to four Te2- atoms to form corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.59–2.64 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four U5+ atoms to form a mixture of distorted corner and edge-sharing TeU4 trigonal pyramids. In the second Te2- site, Te2- is bonded to four U5+ atoms to form a mixture of distorted corner and edge-sharing TeU4 trigonal pyramids. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Cu2+ atom. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U5+ and two equivalent Cu2+ atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Cu2+ atom. In the sixth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U5+ atoms.