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DOE OSTI · 1206469

Materials Data on Rb6C5 by Materials Project

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Abstract

Rb6C5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to five C+1.20- atoms to form a mixture of distorted edge and corner-sharing RbC5 trigonal bipyramids. There are one shorter (2.99 Å) and four longer (3.18 Å) Rb–C bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C+1.20- atoms. All Rb–C bond lengths are 3.16 Å. There are two inequivalent C+1.20- sites. In the first C+1.20- site, C+1.20- is bonded to six Rb1+ atoms to form a mixture of face, edge, and corner-sharing CRb6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. In the second C+1.20- site, C+1.20- is bonded in a trigonal planar geometry to three equivalent Rb1+ atoms.

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2020-04-30. Materials Data on Rb6C5 by Materials Project. https://doi.org/10.17188/1206469

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