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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Gd2AlGe2 by Materials Project

Gd2AlGe2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to two equivalent Al and six equivalent Ge atoms. There are one shorter (3.25 Å) and one longer (3.28 Å) Gd–Al bond lengths. There are a spread of Gd–Ge bond distances ranging from 3.06–3.15 Å. Al is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Ge atoms. There are two shorter (2.66 Å) and two longer (2.71 Å) Al–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to six equivalent Gd, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(AlGe)2 by Materials Project

GdAl2Ge2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd is bonded to six equivalent Ge atoms to form distorted GdGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent GdGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Gd–Ge bond lengths are 3.02 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent GdGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent GdGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–55°. There are three shorter (2.55 Å) and one longer (2.56 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Gd and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing GeGd3Al4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdAlGe by Materials Project

GdAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Gd is bonded to six equivalent Al and six equivalent Ge atoms to form a mixture of edge and face-sharing GdAl6Ge6 cuboctahedra. There are four shorter (3.21 Å) and two longer (3.22 Å) Gd–Al bond lengths. There are four shorter (3.20 Å) and two longer (3.25 Å) Gd–Ge bond lengths. Al is bonded in a distorted trigonal planar geometry to six equivalent Gd and three equivalent Ge atoms. There are one shorter (2.43 Å) and two longer (2.44 Å) Al–Ge bond lengths. Ge is bonded in a distorted trigonal planar geometry to six equivalent Gd and three equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2AlGe6 by Materials Project

Gd2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.34 Å) and one longer (3.36 Å) Gd–Al bond lengths. There are a spread of Gd–Ge bond distances ranging from 3.09–3.36 Å. Al is bonded in a 5-coordinate geometry to four equivalent Gd and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.51–2.60 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Gd, one Al, and two Ge atoms. There are one shorter (2.54 Å) and one longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Gd and two Ge atoms. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Gd, one Al, and three Ge atoms. There are one shorter (2.51 Å) and two longer (2.56 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Gd, one Al, and three Ge atoms. The Ge–Ge bond length is 2.52 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Gd, one Al, and three Ge atoms. The Ge–Ge bond length is 2.53 Å.

36 MATERIALS SCIENCE↗