Materials Data on Ti2SbP by Materials Project
Ti2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti3+ is bonded to three equivalent Sb3- and three equivalent P3- atoms to form a mixture of edge, corner, and face-sharing TiSb3P3 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. All Ti–Sb bond lengths are 2.83 Å. All Ti–P bond lengths are 2.45 Å. Sb3- is bonded to six equivalent Ti3+ atoms to form distorted SbTi6 pentagonal pyramids that share corners with six equivalent PTi6 octahedra, edges with six equivalent PTi6 octahedra, and edges with six equivalent SbTi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. P3- is bonded to six equivalent Ti3+ atoms to form PTi6 octahedra that share corners with six equivalent SbTi6 pentagonal pyramids, edges with six equivalent PTi6 octahedra, and edges with six equivalent SbTi6 pentagonal pyramids.