Ti2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to three equivalent Sb(1) and three equivalent P(1) atoms to form a mixture of edge, face, and corner-sharing TiSb3P3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. Sb(1) is bonded to six equivalent Ti(1) atoms to form distorted SbTi6 pentagonal pyramids that share corners with six equivalent P(1)Ti6 octahedra, edges with six equivalent P(1)Ti6 octahedra, and edges with six equivalent Sb(1)Ti6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. P(1) is bonded to six equivalent Ti(1) atoms to form PTi6 octahedra that share corners with six equivalent Sb(1)Ti6 pentagonal pyramids, edges with six equivalent P(1)Ti6 octahedra, and edges with six equivalent Sb(1)Ti6 pentagonal pyramids.
Ti2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to three equivalent Sb(1) and three equivalent P(1) atoms to form a mixture of edge, face, and corner-sharing TiSb3P3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. All Ti(1)-Sb(1) bond lengths are 2.82 Å. All Ti(1)-P(1) bond lengths are 2.45 Å. Sb(1) is bonded to six equivalent Ti(1) atoms to form distorted SbTi6 pentagonal pyramids that share corners with six equivalent P(1)Ti6 octahedra, edges with six equivalent P(1)Ti6 octahedra, and edges with six equivalent Sb(1)Ti6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. P(1) is bonded to six equivalent Ti(1) atoms to form PTi6 octahedra that share corners with six equivalent Sb(1)Ti6 pentagonal pyramids, edges with six equivalent P(1)Ti6 octahedra, and edges with six equivalent Sb(1)Ti6 pentagonal pyramids.