Materials Data on Na3AlP2 by Materials Project

Abstract

Na3AlP2 crystallizes in the orthorhombic Ibam 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 four equivalent P3- atoms. All Na–P bond lengths are 2.89 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are a spread of Na–P bond distances ranging from 2.86–3.27 Å. Al3+ is bonded to four equivalent P3- atoms to form edge-sharing AlP4 tetrahedra. All Al–P bond lengths are 2.43 Å. P3- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Al3+ atoms.