Materials Data on Lu12Fe2Pb3 by Materials Project
Lu12Fe2Pb3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Pb atoms. Both Lu–Fe bond lengths are 2.82 Å. Both Lu–Pb bond lengths are 3.50 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to one Fe and three Pb atoms. The Lu–Fe bond length is 2.88 Å. There are a spread of Lu–Pb bond distances ranging from 3.14–3.73 Å. Fe is bonded in a 9-coordinate geometry to eight Lu and one Fe atom. The Fe–Fe bond length is 2.42 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. In the second Pb site, Pb is bonded to twelve Lu atoms to form a mixture of distorted corner and face-sharing PbLu12 cuboctahedra.