Materials Data on Mn2CoAs by Materials Project

Abstract

Mn2CoAs 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 to four equivalent Mn and four equivalent As atoms to form distorted edge-sharing MnMn4As4 tetrahedra. All Mn–Mn bond lengths are 2.49 Å. All Mn–As bond lengths are 2.49 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Co, and six equivalent As atoms. All Mn–Co bond lengths are 2.49 Å. All Mn–As bond lengths are 2.87 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent As atoms. All Co–As bond lengths are 2.49 Å. As is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Co atoms.