Materials Data on MnFeSi2 by Materials Project

Abstract

MnFeSi2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Mn is bonded in a 7-coordinate geometry to four equivalent Fe and seven Si atoms. There are a spread of Mn–Fe bond distances ranging from 2.74–2.77 Å. There are a spread of Mn–Si bond distances ranging from 2.29–2.52 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Mn, two equivalent Fe, and seven Si atoms. Both Fe–Fe bond lengths are 2.77 Å. There are a spread of Fe–Si bond distances ranging from 2.27–2.51 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to four equivalent Mn and three equivalent Fe atoms. In the second Si site, Si is bonded in a 5-coordinate geometry to three equivalent Mn and four equivalent Fe atoms.