TiP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form a mixture of face, corner, and edge-sharing TiP6 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. There are two inequivalent P sites. In the first P site, P(1) is bonded to six equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing PTi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P site, P(2) is bonded to six equivalent Ti(1) atoms to form a mixture of corner and edge-sharing PTi6 octahedra.
TiP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form a mixture of face, corner, and edge-sharing TiP6 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. All Ti(1)-P(1) bond lengths are 2.55 Å. All Ti(1)-P(2) bond lengths are 2.44 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to six equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing PTi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P site, P(2) is bonded to six equivalent Ti(1) atoms to form a mixture of corner and edge-sharing PTi6 octahedra.