Materials Data on Rb4YbI6 by Materials Project
Rb4YbI6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent I1- atoms. All Rb–I bond lengths are 3.67 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent I1- atoms. There are a spread of Rb–I bond distances ranging from 3.82–4.00 Å. Yb2+ is bonded in an octahedral geometry to six equivalent I1- atoms. All Yb–I bond lengths are 3.15 Å. I1- is bonded to five Rb1+ and one Yb2+ atom to form a mixture of distorted edge, face, and corner-sharing IRb5Yb octahedra. The corner-sharing octahedra tilt angles range from 0–65°.
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