Materials Data on K2HfF6 by Materials Project

Abstract

K2HfF6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.70 Å) and four longer (3.29 Å) K–F bond lengths. Hf4+ is bonded in an octahedral geometry to six F1- atoms. There are two shorter (2.00 Å) and four longer (2.01 Å) Hf–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to four equivalent K1+ and one Hf4+ atom. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Hf4+ atom.