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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Fe6Co8B by Materials Project

Dy2Fe6Co8B is beta Uranium-derived structured and crystallizes in the tetragonal P4_2/mnm 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 eight Fe and eight Co atoms. There are a spread of Dy–Fe bond distances ranging from 3.01–3.13 Å. There are a spread of Dy–Co bond distances ranging from 2.94–3.16 Å. In the second Dy site, Dy is bonded in a 3-coordinate geometry to six Fe, ten Co, and one B atom. There are four shorter (2.99 Å) and two longer (3.33 Å) Dy–Fe bond lengths. There are a spread of Dy–Co bond distances ranging from 2.98–3.19 Å. The Dy–B bond length is 2.81 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to four Dy, four equivalent Fe, and four equivalent Co atoms to form distorted FeDy4Fe4Co4 cuboctahedra that share corners with four equivalent FeDy4Fe4Co4 cuboctahedra, corners with eight equivalent CoDy3Fe3Co6 cuboctahedra, and faces with four equivalent CoDy3Fe3Co6 cuboctahedra. All Fe–Fe bond lengths are 2.52 Å. All Fe–Co bond lengths are 2.42 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent Dy, four Co, and two equivalent B atoms. There are two shorter (2.43 Å) and two longer (2.71 Å) Fe–Co bond lengths. Both Fe–B bond lengths are 2.05 Å. In the third Fe site, Fe is bonded in a distorted single-bond geometry to two Dy, one Fe, six Co, and one B atom. There are a spread of Fe–Co bond distances ranging from 2.39–2.70 Å. The Fe–B bond length is 2.05 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to two Dy, five Fe, and seven Co atoms. There are a spread of Co–Co bond distances ranging from 2.59–2.74 Å. In the second Co site, Co is bonded to three Dy, three Fe, and six Co atoms to form distorted CoDy3Fe3Co6 cuboctahedra that share corners with four equivalent FeDy4Fe4Co4 cuboctahedra, corners with four equivalent CoDy3Fe3Co6 cuboctahedra, an edgeedge with one CoDy3Fe3Co6 cuboctahedra, faces with two equivalent FeDy4Fe4Co4 cuboctahedra, and faces with two equivalent CoDy3Fe3Co6 cuboctahedra. There are two shorter (2.33 Å) and one longer (2.41 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two Dy, four Fe, and six Co atoms. There are two shorter (2.48 Å) and one longer (2.55 Å) Co–Co bond lengths. B is bonded in a 6-coordinate geometry to one Dy and six Fe atoms.

36 MATERIALS SCIENCE↗