Materials Data on Na8PtO6 by Materials Project

Na8PtO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.75 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.25–2.92 Å. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.23–2.58 Å. In the fourth Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.22–2.54 Å. In the fifth Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.23–2.56 Å. In the sixth Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.23–2.52 Å. In the seventh Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.78 Å. In the eighth Na1+ site, Na1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.91 Å. Pt4+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Pt–O bond distances ranging from 2.06–2.26 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Pt4+ atom to form ONa5Pt octahedra that share corners with five ONa5Pt octahedra and edges with five ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 1–25°. In the second O2- site, O2- is bonded in a 8-coordinate geometry to eight Na1+ atoms. In the third O2- site, O2- is bonded to four Na1+ and two equivalent Pt4+ atoms to form ONa4Pt2 octahedra that share corners with two equivalent ONa4Pt2 octahedra and edges with eight ONa5Pt octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth O2- site, O2- is bonded to five Na1+ and one Pt4+ atom to form a mixture of edge and corner-sharing ONa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–26°. In the fifth O2- site, O2- is bonded to five Na1+ and one Pt4+ atom to form a mixture of edge and corner-sharing ONa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–28°. In the sixth O2- site, O2- is bonded to five Na1+ and one Pt4+ atom to form a mixture of edge and corner-sharing ONa5Pt octahedra. The corner-sharing octahedra tilt angles range from 1–27°.