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Materials Data on KC2 by Materials Project

KC2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted q4 geometry to ten C+0.50- atoms. There are a spread of K–C bond distances ranging from 3.09–3.17 Å. There are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a 6-coordinate geometry to five equivalent K1+ and one C+0.50- atom. The C–C bond length is 1.27 Å. In the second C+0.50- site, C+0.50- is bonded to five equivalent K1+ and one C+0.50- atom to form a mixture of distorted corner and edge-sharing CK5C octahedra. The corner-sharing octahedral tilt angles are 21°.

36 MATERIALS SCIENCE↗