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DOE OSTI · 1192112

Materials Data on Pr2O3 by Materials Project

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Abstract

Pr2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are four shorter (2.40 Å) and two longer (2.49 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Pr–O bond lengths are 2.43 Å. O2- is bonded to four Pr3+ atoms to form a mixture of distorted corner and edge-sharing OPr4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureO-PrPr2O3

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2017-07-24. Materials Data on Pr2O3 by Materials Project. https://doi.org/10.17188/1192112

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