Materials Data on CeHgPd by Materials Project

Abstract

CePdHg crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to five Pd and six Hg atoms. There are four shorter (3.10 Å) and one longer (3.14 Å) Ce–Pd bond lengths. There are two shorter (3.28 Å) and four longer (3.38 Å) Ce–Hg bond lengths. In the second Ce site, Ce is bonded in a 11-coordinate geometry to five Pd and six Hg atoms. There are four shorter (3.09 Å) and one longer (3.13 Å) Ce–Pd bond lengths. There are two shorter (3.28 Å) and four longer (3.38 Å) Ce–Hg bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and three Hg atoms. All Pd–Hg bond lengths are 2.92 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three Ce and six Hg atoms. All Pd–Hg bond lengths are 2.85 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 10-coordinate geometry to six Ce and four Pd atoms. In the second Hg site, Hg is bonded in a distorted q6 geometry to six Ce and four Pd atoms.