Mg2CoN2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing MgN5 square pyramids. In the second Mg site, Mg(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 distorted trigonal planar 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 Mg(2), three equivalent Mg(1), and one Co(1) atom to form NMg5Co octahedra that share corners with two equivalent N(2)Mg4Co2 octahedra, corners with two equivalent N(1)Mg5Co octahedra, edges with three equivalent N(1)Mg5Co octahedra, and edges with five equivalent N(2)Mg4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-36°. In the second N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Co(1) atoms to form distorted NMg4Co2 octahedra that share corners with two equivalent N(2)Mg4Co2 octahedra, corners with two equivalent N(1)Mg5Co octahedra, edges with two equivalent N(2)Mg4Co2 octahedra, and edges with five equivalent N(1)Mg5Co octahedra. The corner-sharing octahedral tilt angles range from 1-36°.
Mg2CoN2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing MgN5 square pyramids. There is one shorter (2.25 Å) and one longer (2.40 Å) Mg(1)-N(2) bond length. There are two shorter (2.14 Å) and one longer (2.27 Å) Mg(1)-N(1) bond length. In the second Mg site, Mg(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 (2.09 Å) and one longer (2.20 Å) Mg(2)-N(1) bond length. Both Mg(2)-N(2) bond lengths are 2.16 Å. Co(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. The Co(1)-N(1) bond length is 1.86 Å. There is one shorter (1.82 Å) and one longer (1.88 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 Mg(2), three equivalent Mg(1), and one Co(1) atom to form NMg5Co octahedra that share corners with two equivalent N(2)Mg4Co2 octahedra, corners with two equivalent N(1)Mg5Co octahedra, edges with three equivalent N(1)Mg5Co octahedra, and edges with five equivalent N(2)Mg4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-36°. In the second N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Co(1) atoms to form distorted NMg4Co2 octahedra that share corners with two equivalent N(2)Mg4Co2 octahedra, corners with two equivalent N(1)Mg5Co octahedra, edges with two equivalent N(2)Mg4Co2 octahedra, and edges with five equivalent N(1)Mg5Co octahedra. The corner-sharing octahedral tilt angles range from 1-36°.