Materials Data on Ba4PdO6 by Materials Project
Ba4PdO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–2.94 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.65 Å. Pd4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Pd–O bond lengths are 2.12 Å. O2- is bonded to five Ba2+ and one Pd4+ atom to form a mixture of distorted face, edge, and corner-sharing OBa5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–61°.
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