Materials Data on MnFe3Si8 by Materials Project
MnFe3Si8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded in a body-centered cubic geometry to eight equivalent Si1- atoms. All Mn–Si bond lengths are 2.37 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight Si1- atoms. There are four shorter (2.37 Å) and four longer (2.39 Å) Fe–Si bond lengths. In the second Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight equivalent Si1- atoms. All Fe–Si bond lengths are 2.38 Å. There are four inequivalent Si1- sites. In the first Si1- site, Si1- is bonded in a 9-coordinate geometry to four equivalent Fe2+ and one Si1- atom. The Si–Si bond length is 2.35 Å. In the second Si1- site, Si1- is bonded in a 9-coordinate geometry to four equivalent Fe2+ and one Si1- atom. The Si–Si bond length is 2.34 Å. In the third Si1- site, Si1- is bonded in a 5-coordinate geometry to four equivalent Fe2+ and one Si1- atom. In the fourth Si1- site, Si1- is bonded in a 5-coordinate geometry to four equivalent Mn2+ and one Si1- atom.