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DOE OSTI · 1738604

Materials Data on Ba4Pd3BrO6 by Materials Project

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Abstract

Ba4Pd3O6Br crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ba is bonded to six equivalent O and two equivalent Br atoms to form a mixture of corner and face-sharing BaBr2O6 hexagonal bipyramids. All Ba–O bond lengths are 2.90 Å. Both Ba–Br bond lengths are 3.55 Å. Pd is bonded in a square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.05 Å. O is bonded to four equivalent Ba and two equivalent Pd atoms to form a mixture of corner and face-sharing OBa4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Br is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

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36 MATERIALS SCIENCEBa-Br-O-PdBa4Pd3BrO6crystal structure

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2020-05-02. Materials Data on Ba4Pd3BrO6 by Materials Project. https://doi.org/10.17188/1738604

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