Materials Data on Mn2CuSb by Materials Project

Abstract

Mn2CuSb 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 Sb atoms to form distorted edge-sharing MnMn4Sb4 tetrahedra. All Mn–Mn bond lengths are 2.70 Å. All Mn–Sb bond lengths are 2.70 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Cu, and six equivalent Sb atoms. All Mn–Cu bond lengths are 2.70 Å. All Mn–Sb bond lengths are 3.11 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Sb atoms. All Cu–Sb bond lengths are 2.70 Å. Sb is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Cu atoms.