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 4-coordinate geometry to three equivalent Pt2- and four Sb2- atoms. All Mn–Pt bond lengths are 3.06 Å. There are one shorter (2.60 Å) and three longer (2.62 Å) Mn–Sb bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 4-coordinate geometry to three equivalent Pt2- and four Sb2- atoms. All Mn–Pt bond lengths are 3.05 Å. There are three shorter (2.69 Å) and one longer (2.72 Å) Mn–Sb bond lengths. Pt2- is bonded in a 10-coordinate geometry to six Mn2+ and four Sb2- atoms. There are three shorter (2.69 Å) and one longer (2.71 Å) Pt–Sb bond lengths. Ni2+ is bonded to four Sb2- atoms to form corner-sharing NiSb4 tetrahedra. There are one shorter (2.57 Å) and three longer (2.63 Å) Ni–Sb bond lengths. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a body-centered cubic geometry to four Mn2+, one Pt2-, and three equivalent Ni2+ atoms. In the second Sb2- site, Sb2- is bonded in a body-centered cubic geometry to four Mn2+, three equivalent Pt2-, and one Ni2+ atom.