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DOE OSTI · 1688043

Materials Data on MnCrSi2 by Materials Project

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Abstract

CrMnSi2 is alpha-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cr6+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.32–2.55 Å. Mn2+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Mn–Si bond distances ranging from 2.26–2.53 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 7-coordinate geometry to three equivalent Cr6+ and four equivalent Mn2+ atoms. In the second Si4- site, Si4- is bonded in a 7-coordinate geometry to four equivalent Cr6+ and three equivalent Mn2+ atoms.

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36 MATERIALS SCIENCECr-Mn-Sicrystal structureMnCrSi2

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2020-05-02. Materials Data on MnCrSi2 by Materials Project. https://doi.org/10.17188/1688043

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