LiLuF4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted tetrahedral geometry to two equivalent F(1) and two equivalent F(2) atoms. Lu(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Lu(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Lu(1) atoms.
LiLuF4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted tetrahedral geometry to two equivalent F(1) and two equivalent F(2) atoms. Both Li(1)-F(1) bond lengths are 1.87 Å. Both Li(1)-F(2) bond lengths are 1.87 Å. Lu(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two shorter (2.17 Å) and two longer (2.23 Å) Lu(1)-F(1) bond lengths. There are two shorter (2.18 Å) and two longer (2.24 Å) Lu(1)-F(2) bond lengths. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Lu(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Lu(1) atoms.