Materials Data on MnCr(Ni2Sn)2 by Materials Project

Abstract

CrMn(Ni2Sn)2 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to eight Ni and six equivalent Sn atoms. There are six shorter (2.63 Å) and two longer (2.64 Å) Cr–Ni bond lengths. All Cr–Sn bond lengths are 3.03 Å. Mn is bonded in a distorted body-centered cubic geometry to eight Ni and six equivalent Sn atoms. There are two shorter (2.62 Å) and six longer (2.63 Å) Mn–Ni bond lengths. All Mn–Sn bond lengths are 3.04 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent Cr, one Mn, and four equivalent Sn atoms. There are three shorter (2.62 Å) and one longer (2.63 Å) Ni–Sn bond lengths. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to one Cr, three equivalent Mn, and four equivalent Sn atoms. The Ni–Cr bond length is 2.64 Å. There are one shorter (2.63 Å) and three longer (2.64 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to one Cr, three equivalent Mn, and four equivalent Sn atoms. There are one shorter (2.63 Å) and three longer (2.64 Å) Ni–Sn bond lengths. In the fourth Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent Cr, one Mn, and four equivalent Sn atoms. There are three shorter (2.62 Å) and one longer (2.63 Å) Ni–Sn bond lengths. In the fifth Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent Cr, one Mn, and four equivalent Sn atoms. All Ni–Cr bond lengths are 2.63 Å. The Ni–Mn bond length is 2.62 Å. There are three shorter (2.62 Å) and one longer (2.63 Å) Ni–Sn bond lengths. Sn is bonded in a 8-coordinate geometry to three equivalent Cr, three equivalent Mn, and eight Ni atoms.