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DOE OSTI · 1188095

Materials Data on PrBPt3 by Materials Project

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Abstract

PrPt3B crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Pr3+ is bonded to twelve Pt2- atoms to form a mixture of distorted face and corner-sharing PrPt12 cuboctahedra. There are a spread of Pr–Pt bond distances ranging from 2.93–3.33 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to four equivalent Pr3+ and two equivalent B3+ atoms. Both Pt–B bond lengths are 2.24 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Pr3+ and one B3+ atom. The Pt–B bond length is 2.11 Å. B3+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

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36 MATERIALS SCIENCEB-Pr-Ptcrystal structurePrBPt3

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2020-07-15. Materials Data on PrBPt3 by Materials Project. https://doi.org/10.17188/1188095

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