Materials Data on BeNF3 by Materials Project

Abstract

BeNF3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two BeNF3 sheets oriented in the (0, 0, 1) direction. Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.54–1.61 Å. N1+ is bonded in an L-shaped geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.56 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Be2+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Be2+ and one N1+ atom.