Materials Data on Na2Ti2O5 by Materials Project

Abstract

Na2Ti2O5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.88 Å. Ti4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.72–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Ti4+ atom. In the second O2- site, O2- is bonded to one Na1+ and three equivalent Ti4+ atoms to form a mixture of edge and corner-sharing ONaTi3 tetrahedra. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Ti4+ atoms.