Materials Data on Lu3Al2 by Materials Project

Abstract

Lu3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Lu–Al bond lengths are 3.23 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.03 Å) and four longer (3.06 Å) Lu–Al bond lengths. In the third Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.00 Å) and four longer (3.14 Å) Lu–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Lu and two equivalent Al atoms. There are one shorter (2.73 Å) and one longer (2.94 Å) Al–Al bond lengths.