Materials Data on LuF3 by Materials Project

LuF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.37 Å) and six longer (2.74 Å) Lu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Lu3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FLu4F4 tetrahedra. All F–F bond lengths are 2.37 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Lu3+ and eight equivalent F1- atoms.