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DOE OSTI · 1684168

Materials Data on CrB2Mo by Materials Project

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Abstract

MoCrB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mo3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mo–B bond distances ranging from 2.28–2.36 Å. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.23–2.50 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Mo3+, four equivalent Cr3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Mo3+, three equivalent Cr3+, and two equivalent B3- atoms.

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36 MATERIALS SCIENCEB-Cr-MoCrB2Mocrystal structure

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2020-05-02. Materials Data on CrB2Mo by Materials Project. https://doi.org/10.17188/1684168

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