Materials Data on Fe6Ge5 by Materials Project

Abstract

Fe6Ge5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.74 Å. There are a spread of Fe–Ge bond distances ranging from 2.41–2.89 Å. In the second Fe site, Fe is bonded in a 5-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.59–2.71 Å. There are a spread of Fe–Ge bond distances ranging from 2.49–2.69 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to two equivalent Fe and seven Ge atoms. Both Fe–Fe bond lengths are 2.77 Å. There are a spread of Fe–Ge bond distances ranging from 2.42–2.66 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to four Fe and six Ge atoms. Both Fe–Fe bond lengths are 2.47 Å. There are a spread of Fe–Ge bond distances ranging from 2.43–2.47 Å. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to six Fe and six Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.44–2.51 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Fe atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms.