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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Na2PdO6 by Materials Project

Na2PdO6 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Na2PdO6 sheet oriented in the (0, 0, 1) direction. Na is bonded to six O atoms to form distorted NaO6 octahedra that share edges with three equivalent NaO6 octahedra and edges with three equivalent PdO6 octahedra. There are four shorter (2.47 Å) and two longer (2.48 Å) Na–O bond lengths. Pd is bonded to six O atoms to form PdO6 octahedra that share edges with six equivalent NaO6 octahedra. All Pd–O bond lengths are 1.99 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na and one Pd atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na and one Pd atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2PdO6 by Materials Project

Na2PdO6 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.39–2.71 Å. Pd is bonded to six O atoms to form PdO6 octahedra that share corners with four ONa2PdO tetrahedra. There are two shorter (1.89 Å) and four longer (2.11 Å) Pd–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded to two equivalent Na, one Pd, and one O atom to form distorted ONa2PdO tetrahedra that share a cornercorner with one PdO6 octahedra, corners with five ONa2PdO tetrahedra, and edges with two equivalent ONa2PdO tetrahedra. The corner-sharing octahedral tilt angles are 66°. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na and one Pd atom. In the third O site, O is bonded to two equivalent Na, one Pd, and one O atom to form distorted ONa2PdO tetrahedra that share a cornercorner with one PdO6 octahedra, corners with five ONa2PdO tetrahedra, and edges with two equivalent ONa2PdO tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na and one Pd atom.

36 MATERIALS SCIENCE↗