Materials Data on Mn2NiSb2Pt by Materials Project

Abstract

Mn2PtNiSb2 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 1-coordinate geometry to one Pt2- and six Sb2- atoms. The Mn–Pt bond length is 2.72 Å. There are three shorter (2.92 Å) and three longer (3.00 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 2.64 Å. There are three shorter (3.03 Å) and three longer (3.15 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 (2.67 Å) and one longer (2.70 Å) Pt–Sb bond lengths. Ni2+ is bonded to four Sb2- atoms to form distorted corner-sharing NiSb4 tetrahedra. There are one shorter (2.52 Å) and three longer (2.58 Å) Ni–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 Ni2+ atom. In the second Sb2- site, Sb2- is bonded in a 10-coordinate geometry to six Mn2+, one Pt2-, and three equivalent Ni2+ atoms.