Materials Data on LiBeNF4 by Materials Project

Abstract

LiBeF3NF crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four monofluoroamine molecules and one LiBeF3 framework. In the LiBeF3 framework, Li1+ is bonded in a trigonal planar geometry to three F1- atoms. There is two shorter (1.83 Å) and one longer (1.85 Å) Li–F bond length. Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There is one shorter (1.47 Å) and two longer (1.48 Å) Be–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Be2+ atom.