Materials Data on Na2P2O13 by Materials Project

Abstract

Na2P2O13 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Na2P2O13 sheets oriented in the (0, 0, 1) direction. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.24–2.96 Å. P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.78 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na and one O atom. The O–O bond length is 1.34 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Na and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one P and one O atom. In the sixth O site, O is bonded in a water-like geometry to one Na and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one O atom.