HfP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form a mixture of edge, face, and corner-sharing HfP6 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. There are two inequivalent P sites. In the first P site, P(1) is bonded to six equivalent Hf(1) atoms to form a mixture of distorted edge and corner-sharing PHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P site, P(2) is bonded to six equivalent Hf(1) atoms to form a mixture of edge and corner-sharing PHf6 octahedra.
HfP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form a mixture of edge, face, and corner-sharing HfP6 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. All Hf(1)-P(1) bond lengths are 2.68 Å. All Hf(1)-P(2) bond lengths are 2.55 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to six equivalent Hf(1) atoms to form a mixture of distorted edge and corner-sharing PHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P site, P(2) is bonded to six equivalent Hf(1) atoms to form a mixture of edge and corner-sharing PHf6 octahedra.