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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb2AlGe3 by Materials Project

Tb2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Tb–Al bond lengths are 3.37 Å. There are a spread of Tb–Ge bond distances ranging from 2.98–3.35 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.98–3.07 Å. Al is bonded to two equivalent Tb and four Ge atoms to form distorted AlTb2Ge4 tetrahedra that share corners with two equivalent GeTb4Al3 pentagonal bipyramids and edges with four equivalent AlTb2Ge4 tetrahedra. There are three shorter (2.57 Å) and one longer (2.69 Å) Al–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four Tb and three equivalent Al atoms to form distorted GeTb4Al3 pentagonal bipyramids that share corners with two equivalent AlTb2Ge4 tetrahedra and edges with six equivalent GeTb4Al3 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, one Al, and two equivalent Ge atoms. There are one shorter (2.59 Å) and one longer (2.66 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six Tb and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(AlGe)2 by Materials Project

TbAl2Ge2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded to six equivalent Ge atoms to form distorted TbGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent TbGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Tb–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 TbGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent TbGe6 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 Tb and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing GeTb3Al4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Al5Ge2 by Materials Project

Tb2Al5Ge2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Tb is bonded in a 3-coordinate geometry to ten Al and four equivalent Ge atoms. There are a spread of Tb–Al bond distances ranging from 3.22–3.47 Å. There are a spread of Tb–Ge bond distances ranging from 3.06–3.28 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Tb and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.58–2.88 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to four equivalent Tb, four equivalent Al, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.84 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to four equivalent Tb, three Al, and four equivalent Ge atoms. Both Al–Al bond lengths are 2.88 Å. There are two shorter (2.68 Å) and two longer (2.85 Å) Al–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to four equivalent Tb and five Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbAlGe by Materials Project

TbAlGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to four equivalent Al and five equivalent Ge atoms. All Tb–Al bond lengths are 3.20 Å. There are a spread of Tb–Ge bond distances ranging from 2.97–3.10 Å. Al is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Ge atoms. All Al–Ge bond lengths are 2.74 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2AlGe6 by Materials Project

Tb2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.35 Å) and one longer (3.36 Å) Tb–Al bond lengths. There are a spread of Tb–Ge bond distances ranging from 3.09–3.35 Å. Al is bonded in a 5-coordinate geometry to four equivalent Tb and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.50–2.60 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Tb, one Al, and two Ge atoms. There are one shorter (2.55 Å) and one longer (2.60 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Tb, one Al, and three Ge atoms. There are one shorter (2.53 Å) and two longer (2.56 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Tb and two Ge atoms. The Ge–Ge bond length is 2.65 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Tb, one Al, and three Ge atoms. There are one shorter (2.53 Å) and two longer (2.56 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Tb, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbAlGe by Materials Project

TbAlGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to five equivalent Al and four equivalent Ge atoms. There are a spread of Tb–Al bond distances ranging from 3.04–3.15 Å. All Tb–Ge bond lengths are 3.19 Å. Al is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Ge atoms. All Al–Ge bond lengths are 2.72 Å. Ge is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Al atoms.

36 MATERIALS SCIENCE↗