Ca2CoN2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN5 square pyramids. In the second Ca site, Ca(2) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. Co(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ca(2), three equivalent Ca(1), and one Co(1) atom to form NCa5Co octahedra that share corners with two equivalent N(2)Ca4Co2 octahedra, corners with two equivalent N(1)Ca5Co octahedra, edges with three equivalent N(1)Ca5Co octahedra, and edges with five equivalent N(2)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. In the second N site, N(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Co(1) atoms to form distorted NCa4Co2 octahedra that share corners with two equivalent N(2)Ca4Co2 octahedra, corners with two equivalent N(1)Ca5Co octahedra, edges with two equivalent N(2)Ca4Co2 octahedra, and edges with five equivalent N(1)Ca5Co octahedra. The corner-sharing octahedral tilt angles range from 3-29°.
Ca2CoN2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN5 square pyramids. There is one shorter (2.40 Å) and one longer (2.68 Å) Ca(1)-N(2) bond length. There is one shorter (2.45 Å) and two longer (2.47 Å) Ca(1)-N(1) bond lengths. In the second Ca site, Ca(2) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There is one shorter (2.35 Å) and one longer (2.49 Å) Ca(2)-N(1) bond length. Both Ca(2)-N(2) bond lengths are 2.49 Å. Co(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. The Co(1)-N(1) bond length is 1.82 Å. There is one shorter (1.82 Å) and one longer (1.99 Å) Co(1)-N(2) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ca(2), three equivalent Ca(1), and one Co(1) atom to form NCa5Co octahedra that share corners with two equivalent N(2)Ca4Co2 octahedra, corners with two equivalent N(1)Ca5Co octahedra, edges with three equivalent N(1)Ca5Co octahedra, and edges with five equivalent N(2)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. In the second N site, N(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Co(1) atoms to form distorted NCa4Co2 octahedra that share corners with two equivalent N(2)Ca4Co2 octahedra, corners with two equivalent N(1)Ca5Co octahedra, edges with two equivalent N(2)Ca4Co2 octahedra, and edges with five equivalent N(1)Ca5Co octahedra. The corner-sharing octahedral tilt angles range from 3-29°.