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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeAgGe by Materials Project

CeAgGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ce is bonded to six equivalent Ag and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing CeAg6Ge6 cuboctahedra. There are three shorter (3.17 Å) and three longer (3.33 Å) Ce–Ag bond lengths. There are three shorter (3.13 Å) and three longer (3.37 Å) Ce–Ge bond lengths. Ag is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ag–Ge bond lengths are 2.66 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(AgGe)2 by Materials Project

CeAg2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Ce–Ag bond lengths are 3.53 Å. All Ce–Ge bond lengths are 3.28 Å. Ag is bonded to four equivalent Ce, four equivalent Ag, and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing AgCe4Ag4Ge4 cuboctahedra. All Ag–Ag bond lengths are 3.04 Å. All Ag–Ge bond lengths are 2.67 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3(AgGe)4 by Materials Project

Ce3Ag4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six Ge atoms. There are four shorter (3.20 Å) and two longer (3.34 Å) Ce–Ag bond lengths. There are two shorter (3.19 Å) and four longer (3.20 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded to eight equivalent Ag and six Ge atoms to form distorted face-sharing CeAg8Ge6 octahedra. All Ce–Ag bond lengths are 3.60 Å. There are four shorter (3.21 Å) and two longer (3.22 Å) Ce–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to five Ce, one Ag, and four Ge atoms. The Ag–Ag bond length is 2.79 Å. There are a spread of Ag–Ge bond distances ranging from 2.63–2.80 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Ce and six equivalent Ag atoms.

36 MATERIALS SCIENCE↗