Materials Data on Tb3(Al3Ru)4 by Materials Project

Abstract

Tb3Ru4Al12 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All Tb–Ru bond lengths are 3.38 Å. There are a spread of Tb–Al bond distances ranging from 2.96–3.21 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Tb and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.56–2.70 Å. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.40 Å) and six longer (2.59 Å) Ru–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb and two equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb and three Ru atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb and three equivalent Ru atoms. In the fourth Al site, Al is bonded in a 5-coordinate geometry to three equivalent Tb and two equivalent Ru atoms.