MgSiN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent N(1) atoms to form MgN6 octahedra that share corners with six equivalent Si(1)N6 octahedra, edges with six equivalent Mg(1)N6 octahedra, and edges with six equivalent Si(1)N6 octahedra. The corner-sharing octahedral tilt angles are 9°. Si(1) is bonded to six equivalent N(1) atoms to form SiN6 octahedra that share corners with six equivalent Mg(1)N6 octahedra, edges with six equivalent Mg(1)N6 octahedra, and edges with six equivalent Si(1)N6 octahedra. The corner-sharing octahedral tilt angles are 9°. N(1) is bonded to three equivalent Mg(1) and three equivalent Si(1) atoms to form a mixture of corner and edge-sharing NMg3Si3 octahedra. The corner-sharing octahedra are not tilted.
MgSiN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent N(1) atoms to form MgN6 octahedra that share corners with six equivalent Si(1)N6 octahedra, edges with six equivalent Mg(1)N6 octahedra, and edges with six equivalent Si(1)N6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Mg(1)-N(1) bond lengths are 2.17 Å. Si(1) is bonded to six equivalent N(1) atoms to form SiN6 octahedra that share corners with six equivalent Mg(1)N6 octahedra, edges with six equivalent Mg(1)N6 octahedra, and edges with six equivalent Si(1)N6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Si(1)-N(1) bond lengths are 1.94 Å. N(1) is bonded to three equivalent Mg(1) and three equivalent Si(1) atoms to form a mixture of corner and edge-sharing NMg3Si3 octahedra. The corner-sharing octahedra are not tilted.