Materials Data on FeAsRh by Materials Project

Abstract

FeRhAs crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Fe, six Rh, and six As atoms. Both Fe–Fe bond lengths are 2.85 Å. There are two shorter (2.79 Å) and four longer (2.87 Å) Fe–Rh bond lengths. There are two shorter (2.60 Å) and four longer (2.91 Å) Fe–As bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Fe, six Rh, and six As atoms. Both Fe–Fe bond lengths are 2.85 Å. There are a spread of Fe–Rh bond distances ranging from 2.77–2.84 Å. There are two shorter (2.61 Å) and four longer (2.94 Å) Fe–As bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 11-coordinate geometry to six Fe, two equivalent Rh, and three As atoms. Both Rh–Rh bond lengths are 2.85 Å. There are one shorter (2.40 Å) and two longer (2.45 Å) Rh–As bond lengths. In the second Rh site, Rh is bonded in a 11-coordinate geometry to six Fe, two equivalent Rh, and three As atoms. Both Rh–Rh bond lengths are 2.85 Å. There are one shorter (2.40 Å) and two longer (2.45 Å) Rh–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 11-coordinate geometry to six Fe, three Rh, and two equivalent As atoms. Both As–As bond lengths are 2.85 Å. In the second As site, As is bonded in a 11-coordinate geometry to six Fe, three Rh, and two equivalent As atoms. Both As–As bond lengths are 2.85 Å.