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.