Materials Data on CrTe4Au by Materials Project

Abstract

CrAuTe4 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one CrAuTe4 sheet oriented in the (1, 0, 0) direction. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share edges with two equivalent CrTe6 octahedra and edges with four equivalent AuTe6 octahedra. There are two shorter (2.73 Å) and four longer (2.76 Å) Cr–Te bond lengths. Au5+ is bonded to six Te2- atoms to form distorted AuTe6 octahedra that share edges with two equivalent AuTe6 octahedra and edges with four equivalent CrTe6 octahedra. There are four shorter (2.72 Å) and two longer (3.32 Å) Au–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to one Cr3+ and two equivalent Au5+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Cr3+ and one Au5+ atom.