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DOE OSTI · 1683001

Materials Data on PrVO3 by Materials Project

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Abstract

PrVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.77 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are four shorter (2.04 Å) and two longer (2.08 Å) V–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Pr3+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent V3+ atoms to form distorted corner-sharing OPr2V2 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureO-Pr-VPrVO3

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2020-05-03. Materials Data on PrVO3 by Materials Project. https://doi.org/10.17188/1683001

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