Materials Data on NaAlO2 by Materials Project

Abstract

NaAlO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra and corners with eight equivalent AlO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.34–2.39 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and corners with eight equivalent NaO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.79 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Al3+ atoms to form distorted corner-sharing ONa2Al2 trigonal pyramids.