Materials Data on DyFe2Co2B by Materials Project
DyFe2Co2B crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to six Fe atoms. All Dy–Fe bond lengths are 2.92 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to four equivalent Fe, eight Co, and six B atoms. There are two shorter (2.94 Å) and two longer (2.95 Å) Dy–Fe bond lengths. There are a spread of Dy–Co bond distances ranging from 2.89–2.93 Å. There are four shorter (2.91 Å) and two longer (2.94 Å) Dy–B bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Dy, two Fe, and two B atoms. There are one shorter (2.45 Å) and one longer (2.46 Å) Fe–Fe bond lengths. Both Fe–B bond lengths are 2.08 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Dy, two equivalent Fe, and four Co atoms. There are three shorter (2.44 Å) and one longer (2.47 Å) Fe–Co bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Dy, two equivalent Fe, and four Co atoms. There are three shorter (2.44 Å) and one longer (2.48 Å) Fe–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to two equivalent Dy, two Fe, and two B atoms. Both Co–B bond lengths are 2.04 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to two equivalent Dy, two Fe, and two B atoms. Both Co–B bond lengths are 2.04 Å. In the third Co site, Co is bonded in a 2-coordinate geometry to two equivalent Dy, two Fe, and two B atoms. Both Co–B bond lengths are 2.07 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Dy, two equivalent Fe, and four Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Dy, two equivalent Fe, and four Co atoms.