Materials Data on BaSnF4 by Materials Project

Abstract

BaSnF4 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BaSnF4 sheet oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 8-coordinate geometry to twelve F1- atoms. There are a spread of Ba–F bond distances ranging from 2.66–3.18 Å. Sn2+ is bonded in a distorted pentagonal planar geometry to five F1- atoms. There are one shorter (2.11 Å) and four longer (2.31 Å) Sn–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Sn2+ atoms. In the second F1- site, F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. In the third F1- site, F1- is bonded in a single-bond geometry to four equivalent Ba2+ and one Sn2+ atom.