Materials Data on NaSrP by Materials Project

NaSrP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with six equivalent SrP5 square pyramids, corners with ten equivalent NaP4 tetrahedra, edges with six equivalent SrP5 square pyramids, and edges with two equivalent NaP4 tetrahedra. There are two shorter (2.92 Å) and two longer (2.98 Å) Na–P bond lengths. Sr2+ is bonded to five P3- atoms to form SrP5 square pyramids that share corners with ten equivalent SrP5 square pyramids, corners with six equivalent NaP4 tetrahedra, edges with six equivalent SrP5 square pyramids, and edges with six equivalent NaP4 tetrahedra. There are one shorter (3.19 Å) and four longer (3.23 Å) Sr–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 Na1+ and six equivalent Sr2+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Na1+ and three equivalent Sr2+ atoms.