Materials Data on KEuPdO3 by Materials Project

Abstract

KEuPdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.08 Å. Eu3+ is bonded to seven O2- atoms to form distorted edge-sharing EuO7 hexagonal pyramids. There are a spread of Eu–O bond distances ranging from 2.30–2.59 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pd–O bond distances ranging from 2.01–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent K1+, three equivalent Eu3+, and one Pd2+ atom to form distorted OK2Eu3Pd octahedra that share corners with five equivalent OK3Eu2Pd octahedra and edges with eight OK2Eu3Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the second O2- site, O2- is bonded to three equivalent K1+, two equivalent Eu3+, and one Pd2+ atom to form a mixture of distorted edge and corner-sharing OK3Eu2Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Eu3+, and two equivalent Pd2+ atoms.