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 to six F1- atoms to form distorted KF6 pentagonal pyramids that share corners with six equivalent SbF5 square pyramids and an edgeedge with one KF6 pentagonal pyramid. There are a spread of K–F bond distances ranging from 2.62–2.85 Å. In the second 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 2.76–3.14 Å. Sb3+ is bonded to five F1- atoms to form SbF5 square pyramids that share corners with six equivalent KF6 pentagonal pyramids. There are a spread of Sb–F bond distances ranging from 1.99–2.16 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded to three K1+ and one Sb3+ atom to form distorted corner-sharing FK3Sb tetrahedra.