ZrMnN2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m space group. Zr(1) is bonded to six equivalent N(1) atoms to form ZrN6 octahedra that share corners with six equivalent Mn(1)N6 octahedra, edges with six equivalent Zr(1)N6 octahedra, and edges with six equivalent Mn(1)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. Mn(1) is bonded to six equivalent N(1) atoms to form MnN6 octahedra that share corners with six equivalent Zr(1)N6 octahedra, edges with six equivalent Zr(1)N6 octahedra, and edges with six equivalent Mn(1)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. N(1) is bonded to three equivalent Zr(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NZr3Mn3 octahedra. The corner-sharing octahedra are not tilted.
ZrMnN2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m space group. Zr(1) is bonded to six equivalent N(1) atoms to form ZrN6 octahedra that share corners with six equivalent Mn(1)N6 octahedra, edges with six equivalent Zr(1)N6 octahedra, and edges with six equivalent Mn(1)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are two shorter (2.23 Å) and four longer (2.25 Å) Zr(1)-N(1) bond lengths. Mn(1) is bonded to six equivalent N(1) atoms to form MnN6 octahedra that share corners with six equivalent Zr(1)N6 octahedra, edges with six equivalent Zr(1)N6 octahedra, and edges with six equivalent Mn(1)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are two shorter (2.09 Å) and four longer (2.11 Å) Mn(1)-N(1) bond lengths. N(1) is bonded to three equivalent Zr(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NZr3Mn3 octahedra. The corner-sharing octahedra are not tilted.