Materials Data on Mn2Sb2PtAu by Materials Project

Abstract

Mn2PtAuSb2 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 Sb+2.50- atoms. The Mn–Pt bond length is 2.68 Å. There are three shorter (3.18 Å) and three longer (3.26 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 Sb+2.50- atoms. All Mn–Pt bond lengths are 2.74 Å. There are three shorter (3.11 Å) and three longer (3.16 Å) Mn–Sb bond lengths. Pt2- is bonded in a body-centered cubic geometry to four Mn2+ and four Sb+2.50- atoms. There are one shorter (2.69 Å) and three longer (2.72 Å) Pt–Sb bond lengths. Au3+ is bonded to four Sb+2.50- atoms to form distorted corner-sharing AuSb4 tetrahedra. There are three shorter (2.78 Å) and one longer (2.80 Å) Au–Sb bond lengths. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 10-coordinate geometry to six Mn2+, three equivalent Pt2-, and one Au3+ atom. In the second Sb+2.50- site, Sb+2.50- is bonded in a 4-coordinate geometry to six Mn2+, one Pt2-, and three equivalent Au3+ atoms.