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DOE OSTI · 1655476

Materials Data on Rb3NiO2 by Materials Project

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Abstract

Rb3NiO2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four equivalent O2- atoms to form a mixture of corner and edge-sharing RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.91–2.98 Å. In the second Rb1+ site, Rb1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Rb–O bond lengths are 2.71 Å. Ni1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ni–O bond lengths are 1.80 Å. O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Ni1+ atom.

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36 MATERIALS SCIENCEcrystal structureNi-O-RbRb3NiO2

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2020-07-20. Materials Data on Rb3NiO2 by Materials Project. https://doi.org/10.17188/1655476

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