Materials Data on NaGaO2 by Materials Project

Abstract

NaGaO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra and corners with eight equivalent GaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.31–2.36 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra and corners with eight equivalent NaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.86–1.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Ga3+ atoms to form distorted corner-sharing ONa2Ga2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Ga3+ atoms to form distorted corner-sharing ONa2Ga2 tetrahedra.