Materials Data on Na2SnO2 by Materials Project

Abstract

Na2SnO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.70 Å. In the second Na1+ site, Na1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.80 Å. Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.04–2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Sn2+ atom to form a mixture of corner and edge-sharing ONa5Sn octahedra. The corner-sharing octahedra tilt angles range from 3–5°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two equivalent Sn2+ atoms.