Materials Data on Mn2NiSn by Materials Project

Abstract

Mn2NiSn 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, four equivalent Ni, and six equivalent Sn atoms. All Mn–Mn bond lengths are 2.62 Å. All Mn–Ni bond lengths are 2.62 Å. All Mn–Sn bond lengths are 3.02 Å. In the second Mn site, Mn is bonded to four equivalent Mn, six equivalent Ni, and four equivalent Sn atoms to form a mixture of distorted face and corner-sharing MnMn4Ni6Sn4 tetrahedra. All Mn–Ni bond lengths are 3.02 Å. All Mn–Sn bond lengths are 2.62 Å. Ni is bonded in a 8-coordinate geometry to ten Mn and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.62 Å. Sn is bonded in a 8-coordinate geometry to ten Mn and four equivalent Ni atoms.