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DOE OSTI · 1355312

Materials Data on Rb2NpO4 by Materials Project

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Abstract

Rb2NpO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.10 Å. Np6+ is bonded to six O2- atoms to form corner-sharing NpO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.19 Å) Np–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Np6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five equivalent Rb1+ and one Np6+ atom.

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36 MATERIALS SCIENCEcrystal structureNp-O-RbRb2NpO4

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2020-07-23. Materials Data on Rb2NpO4 by Materials Project. https://doi.org/10.17188/1355312

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