Materials Data on SmYCo10 by Materials Project

Abstract

SmYCo10 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.84–3.16 Å. Y is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.83 Å) and twelve longer (3.14 Å) Y–Co bond lengths. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Sm, two equivalent Y, and six Co atoms. All Co–Co bond lengths are 2.42 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Sm, one Y, and six Co atoms. There are four shorter (2.42 Å) and two longer (2.43 Å) Co–Co bond lengths. In the third Co site, Co is bonded to four equivalent Y and eight Co atoms to form CoY4Co8 cuboctahedra that share corners with sixteen CoSm2Y2Co8 cuboctahedra, edges with ten CoSm2Y2Co8 cuboctahedra, and faces with ten CoY4Co8 cuboctahedra. All Co–Co bond lengths are 2.45 Å. In the fourth Co site, Co is bonded to four equivalent Sm and eight Co atoms to form CoSm4Co8 cuboctahedra that share corners with sixteen CoSm2Y2Co8 cuboctahedra, edges with ten CoSm2Y2Co8 cuboctahedra, and faces with ten CoSm4Co8 cuboctahedra. All Co–Co bond lengths are 2.47 Å. In the fifth Co site, Co is bonded to two equivalent Sm, two equivalent Y, and eight Co atoms to form a mixture of edge, face, and corner-sharing CoSm2Y2Co8 cuboctahedra. There are one shorter (2.44 Å) and one longer (2.47 Å) Co–Co bond lengths.