Materials Data on C11N4 by Materials Project
C11N4 crystallizes in the tetragonal P-42m space group. The structure is two-dimensional and consists of six methane molecules and one C5N4 sheet oriented in the (0, 0, 1) direction. In the C5N4 sheet, there are two inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.50 Å. In the second C+1.09+ site, C+1.09+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All C–N bond lengths are 1.47 Å. N3- is bonded in a trigonal non-coplanar geometry to three C+1.09+ atoms.
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