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DOE OSTI · 1656034

Materials Data on Er2Cr2C3 by Materials Project

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Abstract

Er2Cr2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Er–C bond distances ranging from 2.43–2.60 Å. Cr3+ is bonded to four C4- atoms to form a mixture of corner and edge-sharing CrC4 trigonal pyramids. There are a spread of Cr–C bond distances ranging from 1.89–1.99 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Er3+ and two equivalent Cr3+ atoms to form edge-sharing CEr4Cr2 octahedra. In the second C4- site, C4- is bonded in a 6-coordinate geometry to three equivalent Er3+ and three equivalent Cr3+ atoms.

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36 MATERIALS SCIENCEC-Cr-Ercrystal structureEr2Cr2C3

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2020-05-02. Materials Data on Er2Cr2C3 by Materials Project. https://doi.org/10.17188/1656034

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36 MATERIALS SCIENCE↗