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DOE OSTI · 1299503

Materials Data on PrBiO4 by Materials Project

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Abstract

PrBiO4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.45–2.56 Å. Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.07–2.34 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing OPr2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr3+ and one Bi5+ atom.

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36 MATERIALS SCIENCEBi-O-Prcrystal structurePrBiO4

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2020-04-29. Materials Data on PrBiO4 by Materials Project. https://doi.org/10.17188/1299503

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