Materials Data on CeSb2Au by Materials Project

Abstract

CeAuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.24 Å) and four longer (3.33 Å) Ce–Sb bond lengths. Au3+ is bonded to four equivalent Sb3- atoms to form a mixture of corner and edge-sharing AuSb4 tetrahedra. All Au–Sb bond lengths are 2.90 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.16 Å. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Au3+ atoms.