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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce(AlGe)2 by Materials Project

Ce(AlGe)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce is bonded to six equivalent Ge atoms to form distorted CeGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent CeGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Ce–Ge bond lengths are 3.07 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent CeGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent CeGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–54°. There are three shorter (2.56 Å) and one longer (2.60 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Ce and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing GeCe3Al4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2AlGe6 by Materials Project

Ce2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.33 Å) and one longer (3.35 Å) Ce–Al bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.10–3.38 Å. Al is bonded in a 5-coordinate geometry to four equivalent Ce and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.50–2.61 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ce, one Al, and two Ge atoms. There are one shorter (2.57 Å) and one longer (2.62 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Ce and two Ge atoms. The Ge–Ge bond length is 2.65 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Ce, one Al, and three Ge atoms. There are one shorter (2.50 Å) and two longer (2.58 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Ce, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Ce, one Al, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.

36 MATERIALS SCIENCE↗