Materials Data on GdYCo4 by Materials Project

Abstract

GdYCo4 is Cubic Laves-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent Y and twelve Co atoms. There are two shorter (3.16 Å) and two longer (3.18 Å) Gd–Y bond lengths. There are a spread of Gd–Co bond distances ranging from 3.02–3.04 Å. Y is bonded in a 12-coordinate geometry to four equivalent Gd and twelve Co atoms. There are a spread of Y–Co bond distances ranging from 3.02–3.04 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Gd, three equivalent Y, and six Co atoms to form a mixture of corner, edge, and face-sharing CoGd3Y3Co6 cuboctahedra. There are two shorter (2.58 Å) and four longer (2.59 Å) Co–Co bond lengths. In the second Co site, Co is bonded to three equivalent Gd, three equivalent Y, and six Co atoms to form a mixture of corner, edge, and face-sharing CoGd3Y3Co6 cuboctahedra. There are one shorter (2.59 Å) and one longer (2.60 Å) Co–Co bond lengths.