Materials Data on MnFeSi4 by Materials Project
MnFeSi4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Mn–Si bond lengths are 2.38 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Fe–Si bond lengths are 2.38 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 5-coordinate geometry to four equivalent Mn and one Si atom. The Si–Si bond length is 2.35 Å. In the second Si site, Si is bonded in a 5-coordinate geometry to four equivalent Fe and one Si atom.
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