Materials Data on Dy3(Co2Sn)4 by Materials Project

Abstract

Dy3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six Co and six Sn atoms. There are a spread of Dy–Co bond distances ranging from 3.03–3.36 Å. There are a spread of Dy–Sn bond distances ranging from 3.17–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Dy and four Sn atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Dy, seven Co, and three equivalent Sn atoms to form distorted CoDy2Co7Sn3 cuboctahedra that share corners with four equivalent CoDy2Co7Sn3 cuboctahedra, corners with five equivalent SnDy4Co8 cuboctahedra, faces with six equivalent SnDy4Co8 cuboctahedra, and faces with eight CoDy2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.60 Å. There are one shorter (2.63 Å) and two longer (2.65 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Dy, four Co, and four Sn atoms. The Co–Co bond length is 2.49 Å. There are a spread of Co–Sn bond distances ranging from 2.65–2.77 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnDy4Co8 cuboctahedra, faces with six equivalent SnDy4Co8 cuboctahedra, and faces with eight CoDy2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.66 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Dy and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Dy and eight Co atoms to form distorted SnDy4Co8 cuboctahedra that share corners with four equivalent SnDy4Co8 cuboctahedra, corners with six CoDy2Co7Sn3 cuboctahedra, faces with eight CoDy2Co7Sn3 cuboctahedra, and faces with eight equivalent SnDy4Co8 cuboctahedra.