Materials Data on AgBF5 by Materials Project

Abstract

AgFBF4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with two equivalent AgF6 octahedra and corners with four equivalent BF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ag–F bond distances ranging from 2.05–2.39 Å. B3+ is bonded to four equivalent F1- atoms to form BF4 tetrahedra that share corners with four equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All B–F bond lengths are 1.42 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ and one B3+ atom.