Materials Data on Ce2Te5 by Materials Project

Abstract

Ce2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Ce2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Te+1.60- atoms. There are a spread of Ce–Te bond distances ranging from 3.24–3.33 Å. In the second Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Te+1.60- atoms. There are five shorter (3.24 Å) and four longer (3.32 Å) Ce–Te bond lengths. There are five inequivalent Te+1.60- sites. In the first Te+1.60- site, Te+1.60- is bonded in a 2-coordinate geometry to two equivalent Ce4+ and four equivalent Te+1.60- atoms. All Te–Te bond lengths are 3.12 Å. In the second Te+1.60- site, Te+1.60- is bonded in a 2-coordinate geometry to two equivalent Ce4+ and four equivalent Te+1.60- atoms. In the third Te+1.60- site, Te+1.60- is bonded in a 8-coordinate geometry to four equivalent Ce4+ and four equivalent Te+1.60- atoms. All Te–Te bond lengths are 3.12 Å. In the fourth Te+1.60- site, Te+1.60- is bonded to five Ce4+ atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids. In the fifth Te+1.60- site, Te+1.60- is bonded to five Ce4+ atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids.