Materials Data on NaPdO2 by Materials Project

Abstract

NaPdO2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na is bonded to six equivalent O atoms to form NaO6 octahedra that share corners with six equivalent PdO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent PdO6 octahedra. The corner-sharing octahedra tilt angles range from 8–11°. There are four shorter (2.40 Å) and two longer (2.47 Å) Na–O bond lengths. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent PdO6 octahedra. The corner-sharing octahedra tilt angles range from 8–11°. There are four shorter (2.06 Å) and two longer (2.45 Å) Pd–O bond lengths. O is bonded to three equivalent Na and three equivalent Pd atoms to form a mixture of corner and edge-sharing ONa3Pd3 octahedra. The corner-sharing octahedral tilt angles are 0°.