Materials Data on Ba2Na2O3 by Materials Project
Na2Ba2O3 is Spinel-like structured and crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.34–2.51 Å. Ba2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–2.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Ba2+ atoms to form OBa3Na3 octahedra that share corners with six equivalent OBa2Na2 tetrahedra and edges with six equivalent OBa3Na3 octahedra. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Ba2+ atoms to form distorted corner-sharing OBa2Na2 tetrahedra. The corner-sharing octahedra tilt angles range from 50–70°.