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DOE OSTI · 1716216

Materials Data on CrB2Ru by Materials Project

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Abstract

CrRuB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.20–2.43 Å. Ru3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ru–B bond distances ranging from 2.25–2.33 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Cr3+, four equivalent Ru3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.77 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Cr3+, three equivalent Ru3+, and two equivalent B3- atoms.

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36 MATERIALS SCIENCEB-Cr-RuCrB2Rucrystal structure

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2020-05-02. Materials Data on CrB2Ru by Materials Project. https://doi.org/10.17188/1716216

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