LuF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Lu(1) is bonded in a distorted body-centered cubic geometry to six equivalent F(2) and eight equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Lu(1) atoms to form FLu4 tetrahedra that share corners with twelve equivalent F(2)Lu6 octahedra, corners with sixteen equivalent F(1)Lu4 tetrahedra, edges with six equivalent F(1)Lu4 tetrahedra, and faces with four equivalent F(2)Lu6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second F site, F(2) is bonded to six equivalent Lu(1) atoms to form FLu6 octahedra that share corners with six equivalent F(2)Lu6 octahedra, corners with twenty-four equivalent F(1)Lu4 tetrahedra, edges with twelve equivalent F(2)Lu6 octahedra, and faces with eight equivalent F(1)Lu4 tetrahedra. The corner-sharing octahedra are not tilted.
LuF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Lu(1) is bonded in a distorted body-centered cubic geometry to six equivalent F(2) and eight equivalent F(1) atoms. All Lu(1)-F(2) bond lengths are 2.74 Å. All Lu(1)-F(1) bond lengths are 2.37 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Lu(1) atoms to form FLu4 tetrahedra that share corners with twelve equivalent F(2)Lu6 octahedra, corners with sixteen equivalent F(1)Lu4 tetrahedra, edges with six equivalent F(1)Lu4 tetrahedra, and faces with four equivalent F(2)Lu6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second F site, F(2) is bonded to six equivalent Lu(1) atoms to form FLu6 octahedra that share corners with six equivalent F(2)Lu6 octahedra, corners with twenty-four equivalent F(1)Lu4 tetrahedra, edges with twelve equivalent F(2)Lu6 octahedra, and faces with eight equivalent F(1)Lu4 tetrahedra. The corner-sharing octahedra are not tilted.