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DOE OSTI · 1698785

Materials Data on Pr5Bi3Br by Materials Project

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Abstract

Pr5Bi3Br crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to five equivalent Bi and two equivalent Br atoms. There are three shorter (3.33 Å) and two longer (3.55 Å) Pr–Bi bond lengths. Both Pr–Br bond lengths are 3.15 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Pr–Bi bond lengths are 3.46 Å. Bi is bonded in a 9-coordinate geometry to nine Pr atoms. Br is bonded to six equivalent Pr atoms to form face-sharing BrPr6 octahedra.

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36 MATERIALS SCIENCEBi-Br-Prcrystal structurePr5Bi3Br

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2020-05-03. Materials Data on Pr5Bi3Br by Materials Project. https://doi.org/10.17188/1698785

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