Materials Data on CeGe3Pd5 by Materials Project

Abstract

CePd5Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eleven Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.23–3.57 Å. There are a spread of Ce–Ge bond distances ranging from 3.16–3.20 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Ce, five Pd, and four Ge atoms. There are a spread of Pd–Pd bond distances ranging from 2.78–2.85 Å. There are a spread of Pd–Ge bond distances ranging from 2.50–2.58 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Ce and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.52–2.66 Å. In the third Pd site, Pd is bonded in a 5-coordinate geometry to one Ce, one Pd, and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.50–2.79 Å. In the fourth Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Ce, two equivalent Pd, and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.49–2.66 Å. In the fifth Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Ce and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.45–2.61 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ce and seven Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ce and seven Pd atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ce and seven Pd atoms.