Mg2MnN2 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 edge and corner-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. Mn(1) is bonded in a distorted trigonal non-coplanar 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 Mn(1) atom to form NMg5Mn octahedra that share corners with two equivalent N(2)Mg4Mn2 octahedra, corners with two equivalent N(1)Mg5Mn octahedra, edges with three equivalent N(1)Mg5Mn octahedra, and edges with five equivalent N(2)Mg4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-29°. In the second N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mn(1) atoms to form NMg4Mn2 octahedra that share corners with two equivalent N(2)Mg4Mn2 octahedra, corners with two equivalent N(1)Mg5Mn octahedra, edges with two equivalent N(2)Mg4Mn2 octahedra, and edges with five equivalent N(1)Mg5Mn octahedra. The corner-sharing octahedral tilt angles range from 4-29°.
Mg2MnN2 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 edge and corner-sharing MgN5 square pyramids. There is one shorter (2.24 Å) and one longer (2.32 Å) Mg(1)-N(2) bond length. There are two shorter (2.17 Å) and one longer (2.35 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 (2.12 Å) and one longer (2.24 Å) Mg(2)-N(1) bond length. Both Mg(2)-N(2) bond lengths are 2.18 Å. Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1) and two equivalent N(2) atoms. The Mn(1)-N(1) bond length is 1.83 Å. There is one shorter (1.87 Å) and one longer (1.92 Å) Mn(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 Mn(1) atom to form NMg5Mn octahedra that share corners with two equivalent N(2)Mg4Mn2 octahedra, corners with two equivalent N(1)Mg5Mn octahedra, edges with three equivalent N(1)Mg5Mn octahedra, and edges with five equivalent N(2)Mg4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-29°. In the second N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mn(1) atoms to form NMg4Mn2 octahedra that share corners with two equivalent N(2)Mg4Mn2 octahedra, corners with two equivalent N(1)Mg5Mn octahedra, edges with two equivalent N(2)Mg4Mn2 octahedra, and edges with five equivalent N(1)Mg5Mn octahedra. The corner-sharing octahedral tilt angles range from 4-29°.