Materials Data on TiCrP2 by Materials Project
TiCrP2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent P3- atoms to form TiP6 octahedra that share corners with twelve equivalent CrP6 octahedra, edges with six equivalent TiP6 octahedra, and faces with two equivalent CrP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ti–P bond lengths are 2.51 Å. Cr2+ is bonded to six equivalent P3- atoms to form CrP6 octahedra that share corners with twelve equivalent TiP6 octahedra, edges with six equivalent CrP6 octahedra, and faces with two equivalent TiP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cr–P bond lengths are 2.40 Å. P3- is bonded to three equivalent Ti4+ and three equivalent Cr2+ atoms to form a mixture of distorted corner and edge-sharing PTi3Cr3 pentagonal pyramids.