Results for “Na-P-Sr”

DOE OSTI2020

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.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Na2Sr3P4 by Materials Project

Na2Sr3P4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to five P2- atoms. There are a spread of Na–P bond distances ranging from 2.92–3.28 Å. In the second Na1+ site, Na1+ is bonded to four P2- atoms to form distorted corner-sharing NaP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.81–3.07 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Sr–P bond distances ranging from 3.00–3.43 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Sr–P bond distances ranging from 2.93–3.19 Å. In the third Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five P2- atoms. There are a spread of Sr–P bond distances ranging from 3.00–3.52 Å. There are four inequivalent P2- sites. In the first P2- site, P2- is bonded in a 8-coordinate geometry to three Na1+ and five Sr2+ atoms. In the second P2- site, P2- is bonded to two Na1+, four Sr2+, and one P2- atom to form distorted edge-sharing PNa2Sr4P pentagonal bipyramids. The P–P bond length is 2.31 Å. In the third P2- site, P2- is bonded in a 8-coordinate geometry to three Na1+, four Sr2+, and one P2- atom. The P–P bond length is 2.24 Å. In the fourth P2- site, P2- is bonded in a 7-coordinate geometry to one Na1+, four Sr2+, and two P2- atoms.

36 MATERIALS SCIENCE↗