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DOE OSTI · 1201840

Materials Data on PaBr5 by Materials Project

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Abstract

PaBr5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PaBr5 clusters. Pa5+ is bonded to six Br1- atoms to form edge-sharing PaBr6 octahedra. There are a spread of Pa–Br bond distances ranging from 2.65–2.91 Å. There are five inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pa5+ atom. In the second Br1- site, Br1- is bonded in a water-like geometry to two equivalent Pa5+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Pa5+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Pa5+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Pa5+ atom.

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36 MATERIALS SCIENCEBr-Pacrystal structurePaBr5

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2020-05-01. Materials Data on PaBr5 by Materials Project. https://doi.org/10.17188/1201840

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