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DOE OSTI2020

Materials Data on LiYF2 by Materials Project

LiYF2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional and consists of two LiYF2 frameworks. Li is bonded in a linear geometry to two equivalent F atoms. Both Li–F bond lengths are 1.90 Å. Y is bonded in a distorted rectangular see-saw-like geometry to four equivalent F atoms. All Y–F bond lengths are 2.37 Å. F is bonded in a distorted trigonal non-coplanar geometry to one Li and two equivalent Y atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LiYF2 by Materials Project

LiYF2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of eight lithium molecules and one YF2 framework. In the YF2 framework, Y is bonded in a distorted hexagonal planar geometry to six equivalent F atoms. There are two shorter (2.37 Å) and four longer (2.38 Å) Y–F bond lengths. F is bonded in a distorted trigonal non-coplanar geometry to three equivalent Y atoms.

36 MATERIALS SCIENCE↗