Materials Data on K2H5F7 by Materials Project
K2H5F7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.72–3.20 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 2.76–2.80 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.00 Å) and one longer (1.42 Å) H–F bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (0.99 Å) and one longer (1.45 Å) H–F bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.14 Å) and one longer (1.16 Å) H–F bond length. In the fourth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.05 Å) and one longer (1.30 Å) H–F bond length. In the fifth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.02 Å) and one longer (1.36 Å) H–F bond length. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to two equivalent K1+ and two H1+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent K1+ and one H1+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to three equivalent K1+ and one H1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to two equivalent K1+ and one H1+ atom. In the fifth F1- site, F1- is bonded in a distorted water-like geometry to two equivalent K1+ and two H1+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to three K1+ and one H1+ atom. In the seventh F1- site, F1- is bonded in a distorted water-like geometry to two equivalent K1+ and two H1+ atoms.