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Results for “I-Rb-Yb”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbYbI3 by Materials Project

RbYbI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.81–4.19 Å. Yb2+ is bonded to six I1- atoms to form edge-sharing YbI6 octahedra. There are a spread of Yb–I bond distances ranging from 3.06–3.19 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to one Rb1+ and three equivalent Yb2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Yb2+ atom. In the third I1- site, I1- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two equivalent Yb2+ atoms.

36 MATERIALS SCIENCE↗