Materials Data on TiMoP2 by Materials Project
TiMoP2 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 MoP6 octahedra, edges with six equivalent TiP6 octahedra, and faces with two equivalent MoP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ti–P bond lengths are 2.48 Å. Mo2+ is bonded to six equivalent P3- atoms to form MoP6 octahedra that share corners with twelve equivalent TiP6 octahedra, edges with six equivalent MoP6 octahedra, and faces with two equivalent TiP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Mo–P bond lengths are 2.48 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Ti4+ and three equivalent Mo2+ atoms.