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DOE OSTI · 1301900

Materials Data on Pr5(CoB3)2 by Materials Project

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Abstract

Pr(Pr2CoB3)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three praseodymium molecules and three Pr2CoB3 sheets oriented in the (0, 0, 1) direction. In each Pr2CoB3 sheet, there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.76 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.79 Å. Co+1.50+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Co–B bond lengths are 2.12 Å. B3- is bonded in a 9-coordinate geometry to four Pr3+, two equivalent Co+1.50+, and three equivalent B3- atoms. All B–B bond lengths are 1.83 Å.

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36 MATERIALS SCIENCEB-Co-Prcrystal structurePr5(CoB3)2

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2020-07-16. Materials Data on Pr5(CoB3)2 by Materials Project. https://doi.org/10.17188/1301900

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36 MATERIALS SCIENCE↗