CaCN2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent N(1) atoms to form edge-sharing CaN6 octahedra. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Ca(1) and one C(1) atom to form a mixture of distorted edge and corner-sharing NCa3C tetrahedra.
CaCN2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent N(1) atoms to form edge-sharing CaN6 octahedra. All Ca(1)-N(1) bond lengths are 2.47 Å. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both C(1)-N(1) bond lengths are 1.23 Å. N(1) is bonded to three equivalent Ca(1) and one C(1) atom to form a mixture of distorted edge and corner-sharing NCa3C tetrahedra.