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Materials Data on Ni(C2N3)2 by Materials Project

Ni(C2N3)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ni2+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (2.02 Å) and two longer (2.19 Å) Ni–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Ni2+ and two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to one Ni2+ and one C4+ atom.

36 MATERIALS SCIENCE↗

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.

36 MATERIALS SCIENCE↗