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DOE OSTI · 1198788

Materials Data on Pr2ReC2 by Materials Project

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Abstract

Pr2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted square co-planar geometry to four C atoms. There are a spread of Pr–C bond distances ranging from 2.67–2.97 Å. In the second Pr site, Pr is bonded to five C atoms to form a mixture of distorted corner and edge-sharing PrC5 square pyramids. There are a spread of Pr–C bond distances ranging from 2.61–2.73 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.92–2.05 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Pr and one Re atom to form a mixture of distorted corner and edge-sharing CPr5Re octahedra. The corner-sharing octahedra tilt angles range from 7–44°. In the second C site, C is bonded to four Pr and two equivalent Re atoms to form a mixture of corner and edge-sharing CPr4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–44°.

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36 MATERIALS SCIENCEC-Pr-Recrystal structurePr2ReC2

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2020-07-14. Materials Data on Pr2ReC2 by Materials Project. https://doi.org/10.17188/1198788

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