Redetermination of Sr2PdO3 from single-crystal X-ray data

Abstract

The crystal structure redetermination of Sr2PdO3 (distrontium palladium trioxide) was carried out using high-quality single-crystal X-ray data. The Sr2PdO3 structure has been described previously in at least three reports [Wasel-Nielen & Hoppe (1970). Z. Anorg. Allg. Chem. 375, 209-213; Muller & Roy (1971). Adv. Chem. Ser. 98, 28-38; Nagata et al. (2002). J. Alloys Compd. 346, 50-56], all based on powder X-ray diffraction data. The current structure refinement of Sr2PdO3, as compared to previous powder data refinements, leads to more precise cell parameters and fractional coordinates, together with anisotropic displacement parameters for all sites. The compound is confirmed to have the orthorhombic Sr2CuO3 structure type (space group Immm) as reported previously. The structure consists of infinite chains of corner-sharing PdO4 plaquettes interspersed by Sr-II atoms. A brief comparison of Sr2PdO3 with the related K2NiF4 structure type is given.