Materials Data on Na4PtO4 by Materials Project

Abstract

Na4PtO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent PtO6 octahedra, edges with three equivalent PtO6 octahedra, and edges with four equivalent NaO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 14°. There are three shorter (2.29 Å) and two longer (2.53 Å) Na–O bond lengths. In the second 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 2.23–2.36 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with four equivalent NaO5 trigonal bipyramids, edges with two equivalent PtO6 octahedra, and edges with six equivalent NaO5 trigonal bipyramids. There are four shorter (2.11 Å) and two longer (2.12 Å) Pt–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Pt4+ atom to form a mixture of corner and edge-sharing ONa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–13°. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Pt4+ atoms to form a mixture of distorted corner and edge-sharing ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 0–13°.