Materials Data on SrMn2Si by Materials Project

Abstract

SrMn2Si crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Si atoms. There are four shorter (2.97 Å) and six longer (3.43 Å) Sr–Mn bond lengths. All Sr–Si bond lengths are 2.97 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Sr and four equivalent Mn atoms to form distorted edge-sharing MnSr4Mn4 tetrahedra. All Mn–Mn bond lengths are 2.97 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to six equivalent Sr, four equivalent Mn, and four equivalent Si atoms. All Mn–Si bond lengths are 2.97 Å. Si is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Mn atoms.