Ca2MgN2 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted CaN4 trigonal pyramids that share corners with four equivalent Mg(1)N4 tetrahedra, corners with two equivalent Ca(2)N4 trigonal pyramids, edges with two equivalent Mg(1)N4 tetrahedra, and  an edgeedge with one Ca(2)N4 trigonal pyramid. Mg(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MgN4 tetrahedra that share corners with two equivalent Mg(1)N4 tetrahedra, corners with four equivalent Ca(2)N4 trigonal pyramids,  an edgeedge with one Mg(1)N4 tetrahedra, and edges with two equivalent Ca(2)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mg(1) atoms. In the second N site, N(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mg(1) atoms to form distorted edge-sharing NCa4Mg2 pentagonal pyramids.
Ca2MgN2 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There is one shorter (2.46 Å) and one longer (2.53 Å) Ca(1)-N(1) bond length. There is one shorter (2.41 Å) and one longer (2.42 Å) Ca(1)-N(2) bond length. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted CaN4 trigonal pyramids that share corners with four equivalent Mg(1)N4 tetrahedra, corners with two equivalent Ca(2)N4 trigonal pyramids, edges with two equivalent Mg(1)N4 tetrahedra, and  an edgeedge with one Ca(2)N4 trigonal pyramid. There is one shorter (2.40 Å) and one longer (2.43 Å) Ca(2)-N(1) bond length. There is one shorter (2.43 Å) and one longer (2.52 Å) Ca(2)-N(2) bond length. Mg(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MgN4 tetrahedra that share corners with two equivalent Mg(1)N4 tetrahedra, corners with four equivalent Ca(2)N4 trigonal pyramids,  an edgeedge with one Mg(1)N4 tetrahedra, and edges with two equivalent Ca(2)N4 trigonal pyramids. There is one shorter (2.15 Å) and one longer (2.24 Å) Mg(1)-N(1) bond length. There is one shorter (2.13 Å) and one longer (2.27 Å) Mg(1)-N(2) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mg(1) atoms. In the second N site, N(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mg(1) atoms to form distorted edge-sharing NCa4Mg2 pentagonal pyramids.