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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeGeAu by Materials Project

CeAuGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded to four equivalent Au and six equivalent Ge atoms to form a mixture of distorted face and corner-sharing CeGe6Au4 tetrahedra. All Ce–Au bond lengths are 2.91 Å. All Ce–Ge bond lengths are 3.35 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Ge atoms. All Au–Ge bond lengths are 2.91 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGeAu by Materials Project

CeAuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are a spread of Ce–Au bond distances ranging from 3.18–3.36 Å. There are a spread of Ce–Ge bond distances ranging from 3.17–3.50 Å. Au is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.66–2.99 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ce and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGeAu by Materials Project

CeAuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ce is bonded to six equivalent Au and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing CeGe6Au6 cuboctahedra. There are three shorter (3.17 Å) and three longer (3.36 Å) Ce–Au bond lengths. There are three shorter (3.15 Å) and three longer (3.38 Å) Ce–Ge bond lengths. Au is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Au–Ge bond lengths are 2.60 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Au atoms.

36 MATERIALS SCIENCE↗