Materials Data on K3CO3F by Materials Project

Abstract

K3CO3F crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded to five equivalent O2- and two equivalent F1- atoms to form a mixture of distorted face, edge, and corner-sharing KO5F2 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.81–3.05 Å. Both K–F bond lengths are 2.64 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one C4+ atom. F1- is bonded to six equivalent K1+ atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles are 25°.