Materials Data on HfCuP by Materials Project

HfCuP is Ilmenite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Hf is bonded in a 6-coordinate geometry to three equivalent Cu and three equivalent P atoms. All Hf–Cu bond lengths are 2.83 Å. All Hf–P bond lengths are 2.50 Å. Cu is bonded in a 4-coordinate geometry to three equivalent Hf and one P atom. The Cu–P bond length is 2.25 Å. P is bonded in a rectangular see-saw-like geometry to three equivalent Hf and one Cu atom.