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DOE OSTI · 1267091

Materials Data on PrBi2IO4 by Materials Project

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Abstract

PrBi2O4I is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pr–O bond lengths are 2.50 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.28 Å. All Bi–I bond lengths are 3.69 Å. O2- is bonded to two equivalent Pr3+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OPr2Bi2 tetrahedra. I1- is bonded in a distorted body-centered cubic geometry to eight equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-I-O-Prcrystal structurePrBi2IO4

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2020-07-16. Materials Data on PrBi2IO4 by Materials Project. https://doi.org/10.17188/1267091

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36 MATERIALS SCIENCE↗