Materials Data on K3IrF6 by Materials Project

K3IrF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.65–2.80 Å. In the second K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.64–2.85 Å. In the third K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.66–2.77 Å. Ir3+ is bonded in an octahedral geometry to six F1- atoms. All Ir–F bond lengths are 2.05 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Ir3+ atom. In the second F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Ir3+ atom. In the third F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Ir3+ atom.