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DOE OSTI · 1310105

Materials Data on Nd2ReC2 by Materials Project

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Abstract

Nd2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nd+2.50+ sites. In the first Nd+2.50+ site, Nd+2.50+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Nd–C bond distances ranging from 2.64–2.90 Å. In the second Nd+2.50+ site, Nd+2.50+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing NdC5 square pyramids. There are a spread of Nd–C bond distances ranging from 2.59–2.70 Å. Re3+ is bonded in a trigonal planar geometry to three C4- atoms. There are a spread of Re–C bond distances ranging from 1.93–2.05 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to five Nd+2.50+ and one Re3+ atom to form a mixture of distorted edge and corner-sharing CNd5Re octahedra. The corner-sharing octahedra tilt angles range from 5–43°. In the second C4- site, C4- is bonded to four Nd+2.50+ and two equivalent Re3+ atoms to form a mixture of edge and corner-sharing CNd4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–43°.

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36 MATERIALS SCIENCEC-Nd-Recrystal structureNd2ReC2

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2020-07-18. Materials Data on Nd2ReC2 by Materials Project. https://doi.org/10.17188/1310105

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36 MATERIALS SCIENCE↗