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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Na2PtO6 by Materials Project

Na2PtO6 is trigonal omega-derived structured and crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one Na2PtO6 sheet oriented in the (0, 0, 1) direction. Na is bonded to six equivalent O atoms to form distorted NaO6 octahedra that share edges with three equivalent NaO6 octahedra and edges with three equivalent PtO6 octahedra. All Na–O bond lengths are 2.45 Å. Pt is bonded to six equivalent O atoms to form PtO6 octahedra that share edges with six equivalent NaO6 octahedra. All Pt–O bond lengths are 1.91 Å. O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na and one Pt atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2PtO6 by Materials Project

Na2PtO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with four equivalent ONa2PtO tetrahedra, edges with three equivalent NaO6 octahedra, and edges with three equivalent PtO6 octahedra. There are a spread of Na–O bond distances ranging from 2.36–2.68 Å. Pt is bonded to six O atoms to form PtO6 octahedra that share corners with four equivalent ONa2PtO tetrahedra and edges with six equivalent NaO6 octahedra. There is two shorter (1.88 Å) and four longer (2.09 Å) Pt–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Na and one Pt atom. In the second O site, O is bonded to two equivalent Na, one Pt, and one O atom to form distorted ONa2PtO tetrahedra that share a cornercorner with one PtO6 octahedra, corners with two equivalent NaO6 octahedra, corners with five equivalent ONa2PtO tetrahedra, and edges with two equivalent ONa2PtO tetrahedra. The corner-sharing octahedra tilt angles range from 45–69°. The O–O bond length is 1.40 Å.

36 MATERIALS SCIENCE↗