Materials Data on KPrPdO3 by Materials Project
KPrPdO3 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 2.69–3.03 Å. Pr3+ is bonded to seven O2- atoms to form distorted edge-sharing PrO7 hexagonal pyramids. There are a spread of Pr–O bond distances ranging from 2.38–2.62 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 2.01–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent K1+, three equivalent Pr3+, and one Pd2+ atom to form distorted OK2Pr3Pd octahedra that share corners with five equivalent OK3Pr2Pd octahedra and edges with eight OK2Pr3Pd octahedra. The corner-sharing octahedra tilt angles range from 7–8°. In the second O2- site, O2- is bonded to three equivalent K1+, two equivalent Pr3+, and one Pd2+ atom to form a mixture of distorted edge and corner-sharing OK3Pr2Pd octahedra. The corner-sharing octahedra tilt angles range from 7–8°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Pr3+, and two equivalent Pd2+ atoms.