Ti2AsP is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to three equivalent As(1) and three equivalent P(1) atoms to form a mixture of corner, edge, and face-sharing TiAs3P3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. As(1) is bonded to six equivalent Ti(1) atoms to form AsTi6 octahedra that share corners with six equivalent P(1)Ti6 pentagonal pyramids, edges with six equivalent As(1)Ti6 octahedra, and edges with six equivalent P(1)Ti6 pentagonal pyramids. P(1) is bonded to six equivalent Ti(1) atoms to form distorted PTi6 pentagonal pyramids that share corners with six equivalent As(1)Ti6 octahedra, edges with six equivalent As(1)Ti6 octahedra, and edges with six equivalent P(1)Ti6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°.
Ti2AsP is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to three equivalent As(1) and three equivalent P(1) atoms to form a mixture of corner, edge, and face-sharing TiAs3P3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. All Ti(1)-As(1) bond lengths are 2.54 Å. All Ti(1)-P(1) bond lengths are 2.56 Å. As(1) is bonded to six equivalent Ti(1) atoms to form AsTi6 octahedra that share corners with six equivalent P(1)Ti6 pentagonal pyramids, edges with six equivalent As(1)Ti6 octahedra, and edges with six equivalent P(1)Ti6 pentagonal pyramids. P(1) is bonded to six equivalent Ti(1) atoms to form distorted PTi6 pentagonal pyramids that share corners with six equivalent As(1)Ti6 octahedra, edges with six equivalent As(1)Ti6 octahedra, and edges with six equivalent P(1)Ti6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°.