Materials Data on Mn2Sb by Materials Project

Abstract

Mn2Sb crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Sb atoms to form distorted MnMn8Sb4 cuboctahedra that share corners with four equivalent MnMn8Sb4 cuboctahedra, corners with four equivalent MnMn4Sb5 square pyramids, edges with eight equivalent MnMn4Sb5 square pyramids, faces with eight equivalent MnMn8Sb4 cuboctahedra, and faces with four equivalent MnMn4Sb5 square pyramids. There are four shorter (2.71 Å) and four longer (2.78 Å) Mn–Mn bond lengths. All Mn–Sb bond lengths are 2.68 Å. In the second Mn site, Mn is bonded to four equivalent Mn and five equivalent Sb atoms to form distorted MnMn4Sb5 square pyramids that share corners with four equivalent MnMn8Sb4 cuboctahedra, corners with four equivalent MnMn4Sb5 square pyramids, edges with eight equivalent MnMn8Sb4 cuboctahedra, edges with eight equivalent MnMn4Sb5 square pyramids, faces with four equivalent MnMn8Sb4 cuboctahedra, and faces with four equivalent MnMn4Sb5 square pyramids. There are one shorter (2.73 Å) and four longer (2.78 Å) Mn–Sb bond lengths. Sb is bonded in a distorted q6 geometry to nine Mn atoms.