Materials Data on Ti2FeB2Ru2Rh3 by Materials Project

Abstract

Ti2Ru2FeRh3B2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ru, six Rh, and three equivalent B atoms. There are two shorter (2.74 Å) and two longer (2.91 Å) Ti–Ru bond lengths. There are four shorter (2.75 Å) and two longer (2.93 Å) Ti–Rh bond lengths. There are a spread of Ti–B bond distances ranging from 2.54–2.87 Å. Ru is bonded in a 8-coordinate geometry to four equivalent Ti, two equivalent Fe, and two equivalent B atoms. Both Ru–Fe bond lengths are 2.55 Å. Both Ru–B bond lengths are 2.15 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Rh atoms. All Fe–Rh bond lengths are 2.56 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Ti, two equivalent Fe, and two equivalent B atoms. Both Rh–B bond lengths are 2.16 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent B atoms. All Rh–B bond lengths are 2.21 Å. B is bonded in a 9-coordinate geometry to three equivalent Ti, two equivalent Ru, and four Rh atoms.