Materials Data on Sc2FeB2Ru4Rh by Materials Project

Abstract

Sc2Ru4FeRhB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to eight equivalent Ru, two equivalent Rh, and three equivalent B atoms. There are four shorter (2.83 Å) and four longer (2.94 Å) Sc–Ru bond lengths. Both Sc–Rh bond lengths are 2.77 Å. There are one shorter (2.60 Å) and two longer (2.87 Å) Sc–B bond lengths. Ru is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Fe, and two equivalent B atoms. Both Ru–Fe bond lengths are 2.59 Å. Both Ru–B bond lengths are 2.19 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. 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. B is bonded in a 9-coordinate geometry to three equivalent Sc, four equivalent Ru, and two equivalent Rh atoms.