Materials Data on U4CuTe12 by Materials Project

Abstract

U4CuTe12 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.12–3.23 Å. In the second U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.26 Å. In the third U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.22 Å. Cu2+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.59–2.67 Å. There are nine inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.08 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+ and one Te2- atom. The Te–Te bond length is 2.94 Å. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two U+5.50+ and one Cu2+ atom. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+ and two Te2- atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U+5.50+ and one Cu2+ atom. In the sixth Te2- site, Te2- is bonded in a 2-coordinate geometry to two U+5.50+ atoms. In the seventh Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the eighth Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the ninth Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids.