Materials Data on Sc2(Al3Co)3 by Materials Project

Abstract

Sc2(CoAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Sc–Al bond distances ranging from 2.88–3.02 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.42–2.55 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.45–2.56 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sc, three Co, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.80 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sc, two equivalent Co, and two equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Sc, three Co, and two equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sc, two equivalent Co, and four equivalent Al atoms.