Materials Data on CrNiP by Materials Project

NiCrP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr2+ is bonded to five P3- atoms to form distorted CrP5 square pyramids that share corners with ten equivalent CrP5 square pyramids, corners with six equivalent NiP4 tetrahedra, edges with six equivalent CrP5 square pyramids, and edges with six equivalent NiP4 tetrahedra. There are one shorter (2.36 Å) and four longer (2.50 Å) Cr–P bond lengths. Ni1+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with six equivalent CrP5 square pyramids, corners with ten equivalent NiP4 tetrahedra, edges with six equivalent CrP5 square pyramids, and edges with two equivalent NiP4 tetrahedra. There are two shorter (2.19 Å) and two longer (2.31 Å) Ni–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Cr2+ and six equivalent Ni1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Cr2+ and three equivalent Ni1+ atoms.