Materials Data on LiScF4 by Materials Project
LiScF4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent F1- atoms. All Li–F bond lengths are 1.90 Å. Sc3+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. There are four shorter (2.11 Å) and four longer (2.22 Å) Sc–F bond lengths. F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Sc3+ atoms.
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