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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbAl7Au3 by Materials Project

TbAu3Al7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Au and twelve equivalent Al atoms. All Tb–Au bond lengths are 3.26 Å. There are six shorter (3.32 Å) and six longer (3.38 Å) Tb–Al bond lengths. Au is bonded in a 9-coordinate geometry to two equivalent Tb and seven Al atoms. There are a spread of Au–Al bond distances ranging from 2.59–2.67 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Tb and three equivalent Au atoms. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(AlAu)2 by Materials Project

TbAu2Al2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight Au and eight Al atoms. There are four shorter (3.33 Å) and four longer (3.40 Å) Tb–Au bond lengths. There are four shorter (3.32 Å) and four longer (3.43 Å) Tb–Al bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Tb and four equivalent Al atoms to form distorted AuTb4Al4 tetrahedra that share corners with twelve equivalent AlTb4Au4 tetrahedra, edges with two equivalent AlTb4Au4 tetrahedra, edges with four equivalent AuTb4Al4 tetrahedra, and faces with four equivalent AuTb4Al4 tetrahedra. All Au–Al bond lengths are 2.58 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to four equivalent Tb and five Al atoms. There are one shorter (2.49 Å) and four longer (2.59 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tb and four equivalent Au atoms to form AlTb4Au4 tetrahedra that share corners with twelve equivalent AuTb4Al4 tetrahedra, edges with two equivalent AuTb4Al4 tetrahedra, edges with four equivalent AlTb4Au4 tetrahedra, and faces with four equivalent AlTb4Au4 tetrahedra. In the second Al site, Al is bonded in a 5-coordinate geometry to four equivalent Tb and five Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbAlAu by Materials Project

TbAuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to six equivalent Au and six equivalent Al atoms. There are a spread of Tb–Au bond distances ranging from 3.05–3.58 Å. There are a spread of Tb–Al bond distances ranging from 3.15–3.37 Å. Au is bonded in a 9-coordinate geometry to six equivalent Tb and four equivalent Al atoms. There are a spread of Au–Al bond distances ranging from 2.64–2.76 Å. Al is bonded in a 4-coordinate geometry to six equivalent Tb and four equivalent Au atoms.

36 MATERIALS SCIENCE↗