LiYF4 is Zircon-like structured and crystallizes in the monoclinic P2/c space group. Li(1) is bonded in a distorted tetrahedral geometry to two equivalent F(1) and two equivalent F(2) atoms. Y(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 distorted trigonal planar geometry to one Li(1) and two equivalent Y(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Y(1) atoms.
LiYF4 is Zircon-like structured and crystallizes in the monoclinic P2/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 1.90 Å. Both Li(1)-F(2) bond lengths are 1.90 Å. Y(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. All Y(1)-F(1) bond lengths are 2.27 Å. There are two shorter (2.27 Å) and two longer (2.28 Å) Y(1)-F(2) bond lengths. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Y(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Y(1) atoms.