ZrTiCN 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 Ti(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Ti(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Ti(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form TiC3N3 octahedra that share corners with six equivalent Zr(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Ti(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. C(1) is bonded to three equivalent Zr(1) and three equivalent Ti(1) atoms to form CZr3Ti3 octahedra that share corners with six equivalent N(1)Zr3Ti3 octahedra, edges with six equivalent C(1)Zr3Ti3 octahedra, and edges with six equivalent N(1)Zr3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. N(1) is bonded to three equivalent Zr(1) and three equivalent Ti(1) atoms to form NZr3Ti3 octahedra that share corners with six equivalent C(1)Zr3Ti3 octahedra, edges with six equivalent C(1)Zr3Ti3 octahedra, and edges with six equivalent N(1)Zr3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.
ZrTiCN 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 Ti(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Ti(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. All Zr(1)-C(1) bond lengths are 2.30 Å. All Zr(1)-N(1) bond lengths are 2.30 Å. Ti(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form TiC3N3 octahedra that share corners with six equivalent Zr(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Ti(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. All Ti(1)-C(1) bond lengths are 2.19 Å. All Ti(1)-N(1) bond lengths are 2.22 Å. C(1) is bonded to three equivalent Zr(1) and three equivalent Ti(1) atoms to form CZr3Ti3 octahedra that share corners with six equivalent N(1)Zr3Ti3 octahedra, edges with six equivalent C(1)Zr3Ti3 octahedra, and edges with six equivalent N(1)Zr3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. N(1) is bonded to three equivalent Zr(1) and three equivalent Ti(1) atoms to form NZr3Ti3 octahedra that share corners with six equivalent C(1)Zr3Ti3 octahedra, edges with six equivalent C(1)Zr3Ti3 octahedra, and edges with six equivalent N(1)Zr3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.