Materials Data on TbGdAl6 by Materials Project

Abstract

TbGdAl6 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded to twelve Al atoms to form distorted TbAl12 cuboctahedra that share corners with six equivalent TbAl12 cuboctahedra, faces with two equivalent TbAl12 cuboctahedra, and faces with six equivalent GdAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.16 Å) Tb–Al bond lengths. Gd is bonded to twelve Al atoms to form distorted GdAl12 cuboctahedra that share corners with six equivalent GdAl12 cuboctahedra, faces with two equivalent GdAl12 cuboctahedra, and faces with six equivalent TbAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.16 Å) Gd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Gd, and six Al atoms. There are two shorter (2.77 Å) and four longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Gd, and six Al atoms. Both Al–Al bond lengths are 2.78 Å.