Materials Data on Sc2GaB2Rh5 by Materials Project

Abstract

Sc2Rh5GaB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to ten Rh and three equivalent B atoms. There are a spread of Sc–Rh bond distances ranging from 2.78–2.95 Å. There are one shorter (2.65 Å) and two longer (2.84 Å) Sc–B bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Ga, and two equivalent B atoms. Both Rh–Ga bond lengths are 2.63 Å. Both Rh–B bond lengths are 2.20 Å. In the second Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent B atoms. All Rh–B bond lengths are 2.26 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Rh atoms.