Materials Data on NaSn2F5 by Materials Project

NaSn2F5 crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.45 Å) and four longer (2.49 Å) Na–F bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted octahedral geometry to six F1- atoms. There are four shorter (2.28 Å) and two longer (2.52 Å) Na–F bond lengths. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.10–2.52 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two equivalent Sn2+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Na1+ and two equivalent Sn2+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two Na1+ and one Sn2+ atom.