ZrMgN2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to six N(1,1) atoms to form MgN6 octahedra that share corners with two equivalent Zr(1)N6 octahedra, corners with four equivalent Mg(1)N6 octahedra, edges with four equivalent Mg(1)N6 octahedra, and edges with eight equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Zr(1) is bonded to six N(1,1,1) atoms to form ZrN6 octahedra that share corners with two equivalent Mg(1)N6 octahedra, corners with four equivalent Zr(1)N6 octahedra, edges with four equivalent Zr(1)N6 octahedra, and edges with eight equivalent Mg(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are four inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°.
ZrMgN2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to six N(1,1) atoms to form MgN6 octahedra that share corners with two equivalent Zr(1)N6 octahedra, corners with four equivalent Mg(1)N6 octahedra, edges with four equivalent Mg(1)N6 octahedra, and edges with eight equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are four shorter (2.23 Å) and two longer (2.39 Å) Mg(1)-N(1,1) bond lengths. Zr(1) is bonded to six N(1,1,1) atoms to form ZrN6 octahedra that share corners with two equivalent Mg(1)N6 octahedra, corners with four equivalent Zr(1)N6 octahedra, edges with four equivalent Zr(1)N6 octahedra, and edges with eight equivalent Mg(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two shorter (2.21 Å) and four longer (2.23 Å) Zr(1)-N(1,1,1) bond lengths. There are four inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There is one shorter (2.21 Å) and two longer (2.23 Å) N(1)-Zr(1) bond lengths. In the second N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two shorter (2.23 Å) and one longer (2.39 Å) N(1)-Mg(1) bond length. In the fourth N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two shorter (2.23 Å) and one longer (2.39 Å) N(1)-Mg(1) bond length.