Mg2WN2 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. W(1) is bonded in a T-shaped 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 W(1) atom to form NMg5W octahedra that share corners with two equivalent N(2)Mg4W2 octahedra, corners with two equivalent N(1)Mg5W octahedra, edges with three equivalent N(1)Mg5W octahedra, and edges with five equivalent N(2)Mg4W2 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent W(1) atoms to form NMg4W2 octahedra that share corners with two equivalent N(2)Mg4W2 octahedra, corners with two equivalent N(1)Mg5W octahedra, edges with two equivalent N(2)Mg4W2 octahedra, and edges with five equivalent N(1)Mg5W octahedra. The corner-sharing octahedral tilt angles range from 4-7°.
Mg2WN2 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. Both Mg(1)-N(2) bond lengths are 2.18 Å. There is one shorter (2.22 Å) and two longer (2.24 Å) Mg(1)-N(1) bond lengths. 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 (2.10 Å) and one longer (2.20 Å) Mg(2)-N(1) bond length. Both Mg(2)-N(2) bond lengths are 2.24 Å. W(1) is bonded in a T-shaped geometry to one N(1) and two equivalent N(2) atoms. The W(1)-N(1) bond length is 1.96 Å. There is one shorter (2.01 Å) and one longer (2.12 Å) W(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 W(1) atom to form NMg5W octahedra that share corners with two equivalent N(2)Mg4W2 octahedra, corners with two equivalent N(1)Mg5W octahedra, edges with three equivalent N(1)Mg5W octahedra, and edges with five equivalent N(2)Mg4W2 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent W(1) atoms to form NMg4W2 octahedra that share corners with two equivalent N(2)Mg4W2 octahedra, corners with two equivalent N(1)Mg5W octahedra, edges with two equivalent N(2)Mg4W2 octahedra, and edges with five equivalent N(1)Mg5W octahedra. The corner-sharing octahedral tilt angles range from 4-7°.