Materials Data on K by Materials Project

Abstract

K crystallizes in the cubic Im-3 space group. The structure is three-dimensional and consists of twenty-four potassium molecules and one K framework. In the K framework, there are seven inequivalent K sites. In the first K site, K is bonded in a cuboctahedral geometry to twelve equivalent K atoms. All K–K bond lengths are 4.33 Å. In the second K site, K is bonded in a 6-coordinate geometry to six K atoms. There are a spread of K–K bond distances ranging from 4.64–4.74 Å. In the third K site, K is bonded in a 5-coordinate geometry to five K atoms. There are a spread of K–K bond distances ranging from 4.01–4.35 Å. In the fourth K site, K is bonded in a distorted single-bond geometry to one K atom. In the fifth K site, K is bonded in a 3-coordinate geometry to three equivalent K atoms. All K–K bond lengths are 4.82 Å. In the sixth K site, K is bonded in a 1-coordinate geometry to nine K atoms. There are one shorter (4.54 Å) and four longer (4.55 Å) K–K bond lengths. In the seventh K site, K is bonded in a 6-coordinate geometry to six K atoms. There are two shorter (4.38 Å) and one longer (4.54 Å) K–K bond lengths.