Materials Data on NiCN2 by Materials Project
NiCN2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent N3- atoms to form edge-sharing NiN6 octahedra. All Ni–N bond lengths are 2.11 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 4-coordinate geometry to three equivalent Ni2+ and one C4+ atom.
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