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DOE OSTI · 1672976

Materials Data on MnCoB2 by Materials Project

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Abstract

MnCoB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.13–2.16 Å. Co4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Co–B bond distances ranging from 2.11–2.18 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Mn2+, three equivalent Co4+, and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Mn2+, four equivalent Co4+, and two equivalent B3- atoms.

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36 MATERIALS SCIENCEB-Co-Mncrystal structureMnCoB2

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2020-05-02. Materials Data on MnCoB2 by Materials Project. https://doi.org/10.17188/1672976

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36 MATERIALS SCIENCE↗