Materials Data on Mn2SiNi by Materials Project

Abstract

Mn2NiSi is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, six equivalent Ni, and four equivalent Si atoms. All Mn–Mn bond lengths are 2.45 Å. All Mn–Ni bond lengths are 2.83 Å. All Mn–Si bond lengths are 2.45 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Ni, and six equivalent Si atoms. All Mn–Ni bond lengths are 2.45 Å. All Mn–Si bond lengths are 2.83 Å. Ni is bonded in a 4-coordinate geometry to ten Mn and four equivalent Si atoms. All Ni–Si bond lengths are 2.45 Å. Si is bonded in a 4-coordinate geometry to ten Mn and four equivalent Ni atoms.