Ti3WC4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent C(1) and three equivalent C(2) atoms to form TiC6 octahedra that share corners with three equivalent Ti(2)C6 octahedra, corners with three equivalent W(1)C6 octahedra, edges with three equivalent Ti(2)C6 octahedra, edges with three equivalent W(1)C6 octahedra, and edges with six equivalent Ti(1)C6 octahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded to six equivalent C(1) atoms to form a mixture of corner and edge-sharing TiC6 octahedra. The corner-sharing octahedra are not tilted. W(1) is bonded to six equivalent C(2) atoms to form WC6 octahedra that share corners with six equivalent Ti(1)C6 octahedra, edges with six equivalent Ti(1)C6 octahedra, and edges with six equivalent W(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 three equivalent Ti(1) and three equivalent Ti(2) atoms to form CTi6 octahedra that share corners with three equivalent C(2)Ti3W3 octahedra, corners with three equivalent C(1)Ti6 octahedra, edges with three equivalent C(2)Ti3W3 octahedra, and edges with nine equivalent C(1)Ti6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second C site, C(2) is bonded to three equivalent Ti(1) and three equivalent W(1) atoms to form CTi3W3 octahedra that share corners with three equivalent C(2)Ti3W3 octahedra, corners with three equivalent C(1)Ti6 octahedra, edges with three equivalent C(1)Ti6 octahedra, and edges with nine equivalent C(2)Ti3W3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.
Ti3WC4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent C(1) and three equivalent C(2) atoms to form TiC6 octahedra that share corners with three equivalent Ti(2)C6 octahedra, corners with three equivalent W(1)C6 octahedra, edges with three equivalent Ti(2)C6 octahedra, edges with three equivalent W(1)C6 octahedra, and edges with six equivalent Ti(1)C6 octahedra. The corner-sharing octahedra are not tilted. All Ti(1)-C(1) bond lengths are 2.16 Å. All Ti(1)-C(2) bond lengths are 2.18 Å. In the second Ti site, Ti(2) is bonded to six equivalent C(1) atoms to form a mixture of corner and edge-sharing TiC6 octahedra. The corner-sharing octahedra are not tilted. All Ti(2)-C(1) bond lengths are 2.17 Å. W(1) is bonded to six equivalent C(2) atoms to form WC6 octahedra that share corners with six equivalent Ti(1)C6 octahedra, edges with six equivalent Ti(1)C6 octahedra, and edges with six equivalent W(1)C6 octahedra. The corner-sharing octahedra are not tilted. All W(1)-C(2) bond lengths are 2.18 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded to three equivalent Ti(1) and three equivalent Ti(2) atoms to form CTi6 octahedra that share corners with three equivalent C(2)Ti3W3 octahedra, corners with three equivalent C(1)Ti6 octahedra, edges with three equivalent C(2)Ti3W3 octahedra, and edges with nine equivalent C(1)Ti6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second C site, C(2) is bonded to three equivalent Ti(1) and three equivalent W(1) atoms to form CTi3W3 octahedra that share corners with three equivalent C(2)Ti3W3 octahedra, corners with three equivalent C(1)Ti6 octahedra, edges with three equivalent C(1)Ti6 octahedra, and edges with nine equivalent C(2)Ti3W3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.