Materials Data on KLiCO3 by Materials Project
LiKCO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.37 Å. Li1+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing LiO5 trigonal bipyramids. There are a spread of Li–O bond distances ranging from 1.99–2.20 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent K1+, two equivalent Li1+, and one C4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Li1+, and one C4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent K1+, one Li1+, and one C4+ atom.