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DOE OSTI2020

Materials Data on Li3Eu by Materials Project

Li3Eu crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a 10-coordinate geometry to six equivalent Li and four equivalent Eu atoms. There are two shorter (3.02 Å) and four longer (3.21 Å) Li–Li bond lengths. There are two shorter (3.47 Å) and two longer (3.52 Å) Li–Eu bond lengths. Eu is bonded to twelve equivalent Li atoms to form a mixture of corner and face-sharing EuLi12 cuboctahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li3Eu by Materials Project

Li3Eu is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Eu atoms to form a mixture of corner, edge, and face-sharing LiLi4Eu4 tetrahedra. All Li–Li bond lengths are 3.35 Å. All Li–Eu bond lengths are 3.35 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to eight equivalent Li and six equivalent Eu atoms. All Li–Eu bond lengths are 3.87 Å. Eu is bonded in a body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗