Materials Data on CsC2N3 by Materials Project
CsC2N3 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent N3- atoms to form edge-sharing CsN6 octahedra. There are a spread of Cs–N bond distances ranging from 3.22–3.31 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.29 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and one C4+ atom.
36 MATERIALS SCIENCE↗