Materials Data on Mn2CuSb2Pt by Materials Project

Abstract

Mn2PtCuSb2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted single-bond geometry to one Pt2- and six Sb2- atoms. The Mn–Pt bond length is 2.68 Å. There are three shorter (3.07 Å) and three longer (3.08 Å) Mn–Sb bond lengths. In the second Mn2+ site, Mn2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt2- and six Sb2- atoms. All Mn–Pt bond lengths are 2.69 Å. There are three shorter (3.12 Å) and three longer (3.13 Å) Mn–Sb bond lengths. Pt2- is bonded in a body-centered cubic geometry to four Mn2+ and four Sb2- atoms. There are three shorter (2.70 Å) and one longer (2.73 Å) Pt–Sb bond lengths. Cu2+ is bonded to four Sb2- atoms to form corner-sharing CuSb4 tetrahedra. There are one shorter (2.62 Å) and three longer (2.67 Å) Cu–Sb bond lengths. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 10-coordinate geometry to six Mn2+, three equivalent Pt2-, and one Cu2+ atom. In the second Sb2- site, Sb2- is bonded in a 10-coordinate geometry to six Mn2+, one Pt2-, and three equivalent Cu2+ atoms.