Materials Data on Yb3Al by Materials Project
Yb3Al is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Yb and four equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing YbYb4Al4 tetrahedra. All Yb–Yb bond lengths are 3.39 Å. All Yb–Al bond lengths are 3.39 Å. In the second Yb site, Yb is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.