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DOE OSTI · 1714286

Materials Data on Ho2ReC2 by Materials Project

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Abstract

Ho2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Ho–C bond distances ranging from 2.51–2.66 Å. In the second Ho site, Ho is bonded to five C atoms to form a mixture of edge and corner-sharing HoC5 square pyramids. There are a spread of Ho–C bond distances ranging from 2.48–2.56 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 1.94–2.05 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Ho and one Re atom to form a mixture of edge and corner-sharing CHo5Re octahedra. The corner-sharing octahedra tilt angles range from 2–38°. In the second C site, C is bonded to four Ho and two equivalent Re atoms to form a mixture of edge and corner-sharing CHo4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–38°.

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36 MATERIALS SCIENCEC-Ho-Recrystal structureHo2ReC2

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2020-05-03. Materials Data on Ho2ReC2 by Materials Project. https://doi.org/10.17188/1714286

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