Materials Data on Fe9B4Rh3 by Materials Project

Abstract

Fe9Rh3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.09–2.41 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.10–2.39 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.34 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.35 Å. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.13–2.61 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Rh–B bond distances ranging from 2.13–2.61 Å. In the second Rh site, Rh is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Rh–B bond distances ranging from 2.15–2.61 Å. In the third Rh site, Rh is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Rh–B bond distances ranging from 2.14–2.59 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to seven Fe and two equivalent Rh atoms. In the second B site, B is bonded in a 9-coordinate geometry to eight Fe and one Rh atom. In the third B site, B is bonded in a 9-coordinate geometry to six Fe and three Rh atoms. In the fourth B site, B is bonded in a 6-coordinate geometry to six Fe and three Rh atoms.