ZrNbCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Zr(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form ZrC3N3 octahedra that share corners with six equivalent Nb(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. Nb(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form NbC3N3 octahedra that share corners with six equivalent Zr(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. C(1) is bonded to three equivalent Zr(1) and three equivalent Nb(1) atoms to form CZr3Nb3 octahedra that share corners with six equivalent N(1)Zr3Nb3 octahedra, edges with six equivalent C(1)Zr3Nb3 octahedra, and edges with six equivalent N(1)Zr3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. N(1) is bonded to three equivalent Zr(1) and three equivalent Nb(1) atoms to form NZr3Nb3 octahedra that share corners with six equivalent C(1)Zr3Nb3 octahedra, edges with six equivalent C(1)Zr3Nb3 octahedra, and edges with six equivalent N(1)Zr3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°.
ZrNbCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Zr(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form ZrC3N3 octahedra that share corners with six equivalent Nb(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. All Zr(1)-C(1) bond lengths are 2.30 Å. All Zr(1)-N(1) bond lengths are 2.33 Å. Nb(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form NbC3N3 octahedra that share corners with six equivalent Zr(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. All Nb(1)-C(1) bond lengths are 2.23 Å. All Nb(1)-N(1) bond lengths are 2.29 Å. C(1) is bonded to three equivalent Zr(1) and three equivalent Nb(1) atoms to form CZr3Nb3 octahedra that share corners with six equivalent N(1)Zr3Nb3 octahedra, edges with six equivalent C(1)Zr3Nb3 octahedra, and edges with six equivalent N(1)Zr3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. N(1) is bonded to three equivalent Zr(1) and three equivalent Nb(1) atoms to form NZr3Nb3 octahedra that share corners with six equivalent C(1)Zr3Nb3 octahedra, edges with six equivalent C(1)Zr3Nb3 octahedra, and edges with six equivalent N(1)Zr3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°.