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DOE OSTI · 1690994

Materials Data on Cr22MoC6 by Materials Project

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Abstract

MoCr22C6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mo is bonded in a cuboctahedral geometry to twelve equivalent Cr atoms. All Mo–Cr bond lengths are 2.59 Å. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted tetrahedral geometry to four equivalent Cr atoms. All Cr–Cr bond lengths are 2.42 Å. In the second Cr site, Cr is bonded in a distorted trigonal non-coplanar geometry to one Cr and three equivalent C atoms. All Cr–C bond lengths are 2.10 Å. In the third Cr site, Cr is bonded in a distorted bent 150 degrees geometry to one Mo and two equivalent C atoms. Both Cr–C bond lengths are 2.13 Å. C is bonded in a 8-coordinate geometry to eight Cr atoms.

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36 MATERIALS SCIENCEC-Cr-MoCr22MoC6crystal structure

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2020-04-29. Materials Data on Cr22MoC6 by Materials Project. https://doi.org/10.17188/1690994

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