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DOE OSTI · 1714202

Materials Data on Pr(Co2B)6 by Materials Project

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Abstract

PrCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Pr–B bond lengths are 3.06 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.10 Å. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. All Co–B bond lengths are 2.04 Å. B3- is bonded in a 7-coordinate geometry to one Pr3+ and seven Co+1.25+ atoms.

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36 MATERIALS SCIENCEB-Co-Prcrystal structurePr(Co2B)6

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2020-05-03. Materials Data on Pr(Co2B)6 by Materials Project. https://doi.org/10.17188/1714202

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36 MATERIALS SCIENCE↗