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DOE OSTI2020

Materials Data on LiF by Materials Project

LiF is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form a mixture of edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.04 Å. F1- is bonded to six equivalent Li1+ atoms to form a mixture of edge and corner-sharing FLi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiF by Materials Project

LiF is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Li–F bond lengths are 2.22 Å. F1- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiF3 by Materials Project

LiF3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two LiF3 sheets oriented in the (0, 0, 1) direction. Li is bonded in a hexagonal planar geometry to six equivalent F atoms. All Li–F bond lengths are 2.21 Å. F is bonded in a linear geometry to two equivalent Li atoms.

36 MATERIALS SCIENCE↗