Materials Data on K3SnHF8 by Materials Project
K3SnHF8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two equivalent H1+ and six F1- atoms. Both K–H bond lengths are 2.81 Å. There are a spread of K–F bond distances ranging from 2.64–2.81 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.64–3.20 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 2.00–2.02 Å. H1+ is bonded in a linear geometry to two equivalent K1+ and two equivalent F1- atoms. Both H–F bond lengths are 1.15 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Sn4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one H1+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Sn4+ atom.