ZrTiC2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Zr(1) is bonded to two equivalent C(2) and four equivalent C(1) atoms to form ZrC6 octahedra that share corners with six equivalent Zr(1)C6 octahedra, edges with four equivalent Zr(1)C6 octahedra, and edges with eight equivalent Ti(1)C6 octahedra. The corner-sharing octahedra are not tilted. Ti(1) is bonded to two equivalent C(1) and four equivalent C(2) atoms to form TiC6 octahedra that share corners with six equivalent Ti(1)C6 octahedra, edges with four equivalent Ti(1)C6 octahedra, and edges with eight equivalent Zr(1)C6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Zr(1) and two equivalent Ti(1) atoms to form CZr4Ti2 octahedra that share corners with six equivalent C(1)Zr4Ti2 octahedra, edges with four equivalent C(1)Zr4Ti2 octahedra, and edges with eight equivalent C(2)Zr2Ti4 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded to two equivalent Zr(1) and four equivalent Ti(1) atoms to form CZr2Ti4 octahedra that share corners with six equivalent C(2)Zr2Ti4 octahedra, edges with four equivalent C(2)Zr2Ti4 octahedra, and edges with eight equivalent C(1)Zr4Ti2 octahedra. The corner-sharing octahedra are not tilted.
ZrTiC2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Zr(1) is bonded to two equivalent C(2) and four equivalent C(1) atoms to form ZrC6 octahedra that share corners with six equivalent Zr(1)C6 octahedra, edges with four equivalent Zr(1)C6 octahedra, and edges with eight equivalent Ti(1)C6 octahedra. The corner-sharing octahedra are not tilted. Both Zr(1)-C(2) bond lengths are 2.27 Å. All Zr(1)-C(1) bond lengths are 2.28 Å. Ti(1) is bonded to two equivalent C(1) and four equivalent C(2) atoms to form TiC6 octahedra that share corners with six equivalent Ti(1)C6 octahedra, edges with four equivalent Ti(1)C6 octahedra, and edges with eight equivalent Zr(1)C6 octahedra. The corner-sharing octahedra are not tilted. Both Ti(1)-C(1) bond lengths are 2.27 Å. All Ti(1)-C(2) bond lengths are 2.28 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Zr(1) and two equivalent Ti(1) atoms to form CZr4Ti2 octahedra that share corners with six equivalent C(1)Zr4Ti2 octahedra, edges with four equivalent C(1)Zr4Ti2 octahedra, and edges with eight equivalent C(2)Zr2Ti4 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded to two equivalent Zr(1) and four equivalent Ti(1) atoms to form CZr2Ti4 octahedra that share corners with six equivalent C(2)Zr2Ti4 octahedra, edges with four equivalent C(2)Zr2Ti4 octahedra, and edges with eight equivalent C(1)Zr4Ti2 octahedra. The corner-sharing octahedra are not tilted.