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DOE OSTI · 1198881

Materials Data on Pr7O12 by Materials Project

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Abstract

Pr7O12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Pr+3.43+ sites. In the first Pr+3.43+ site, Pr+3.43+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Pr–O bond lengths are 2.37 Å. In the second Pr+3.43+ site, Pr+3.43+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pr+3.43+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded to four Pr+3.43+ atoms to form a mixture of distorted edge and corner-sharing OPr4 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureO-PrPr7O12

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2020-07-14. Materials Data on Pr7O12 by Materials Project. https://doi.org/10.17188/1198881

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