Materials Data on YbF3 by Materials Project

Abstract

YbF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.41 Å) and six longer (2.78 Å) Yb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Yb3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FYb4F4 tetrahedra. All F–F bond lengths are 2.41 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Yb3+ and eight equivalent F1- atoms.