Materials Data on K2SbF5 by Materials Project

Abstract

K2SbF5 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 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.53–3.14 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.71–2.98 Å. Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.97–2.15 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three K1+ and one Sb3+ atom to form a mixture of distorted corner, edge, and face-sharing FK3Sb trigonal pyramids. In the second F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded to three K1+ and one Sb3+ atom to form a mixture of distorted corner, edge, and face-sharing FK3Sb trigonal pyramids. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom.