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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y(AlGe)2 by Materials Project

Al2Ge2Y crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y is bonded to six equivalent Ge atoms to form distorted YGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent YGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Y–Ge bond lengths are 3.01 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent YGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent YGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–55°. There are three shorter (2.56 Å) and one longer (2.57 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Y and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing GeY3Al4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2AlGe3 by Materials Project

Y2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Y–Al bond lengths are 3.35 Å. There are a spread of Y–Ge bond distances ranging from 2.97–3.34 Å. In the second Y site, Y is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Y–Ge bond distances ranging from 2.97–3.06 Å. Al is bonded to two equivalent Y and four Ge atoms to form distorted edge-sharing AlY2Ge4 tetrahedra. There are three shorter (2.57 Å) and one longer (2.70 Å) Al–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six Y and two equivalent Ge atoms. There are one shorter (2.58 Å) and one longer (2.69 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Y, one Al, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four Y and three equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YAlGe by Materials Project

YAlGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to four equivalent Al and five equivalent Ge atoms. All Y–Al bond lengths are 3.19 Å. There are a spread of Y–Ge bond distances ranging from 2.96–3.09 Å. Al is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Ge atoms. All Al–Ge bond lengths are 2.73 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Al atoms.

36 MATERIALS SCIENCE↗