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DOE OSTI · 1742625

Materials Data on K(NpSe3)2 by Materials Project

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Abstract

K(NpSe3)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight equivalent Se2- atoms. All K–Se bond lengths are 3.41 Å. Np+5.50+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Np–Se bond distances ranging from 2.89–2.95 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Np+5.50+ atoms. In the second Se2- site, Se2- is bonded to four equivalent Np+5.50+ atoms to form a mixture of distorted edge and corner-sharing SeNp4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureK(NpSe3)2K-Np-Se

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2020-05-03. Materials Data on K(NpSe3)2 by Materials Project. https://doi.org/10.17188/1742625

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