Materials Data on Sc2FeB2Rh5 by Materials Project
Sc2FeRh5B2 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 2.78–2.94 Å. There are one shorter (2.64 Å) and two longer (2.83 Å) Sc–B bond lengths. Fe is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Fe–Rh bond lengths are 2.62 Å. 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 Fe, and two equivalent B atoms. 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 2.25 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Rh atoms.