Materials Data on SmMn2Ni3 by Materials Project

Abstract

SmMn2Ni3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Mn and twelve Ni atoms. There are two shorter (2.91 Å) and four longer (2.93 Å) Sm–Mn bond lengths. There are eight shorter (3.22 Å) and four longer (3.24 Å) Sm–Ni bond lengths. Mn is bonded in a 12-coordinate geometry to three equivalent Sm and six Ni atoms. There are two shorter (2.47 Å) and four longer (2.48 Å) Mn–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Sm, four equivalent Mn, and four equivalent Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiSm4Mn4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. In the second Ni site, Ni is bonded to four equivalent Sm, four equivalent Mn, and four Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiSm4Mn4Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.55 Å.