Materials Data on Mn3Sb by Materials Project

Abstract

Mn3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m 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 a mixture of distorted edge, corner, and face-sharing MnMn4Sb4 tetrahedra. All Mn–Mn bond lengths are 2.59 Å. All Mn–Sb bond lengths are 2.59 Å. In the second Mn site, Mn is bonded in a 8-coordinate geometry to eight equivalent Mn and six equivalent Sb atoms. All Mn–Sb bond lengths are 2.99 Å. Sb is bonded in a distorted body-centered cubic geometry to fourteen Mn atoms.