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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RbYbO2 by Materials Project

RbYbO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent O2- atoms to form distorted RbO6 octahedra that share corners with six equivalent YbO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Rb–O bond lengths are 2.90 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent RbO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Yb–O bond lengths are 2.36 Å. O2- is bonded to three equivalent Rb1+ and three equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing ORb3Yb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Yb2O5 by Materials Project

Rb2Yb2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Rb–O bond lengths are 3.00 Å. In the second Rb site, Rb is bonded to twelve O atoms to form RbO12 cuboctahedra that share corners with four equivalent RbO12 cuboctahedra, faces with four equivalent RbO12 cuboctahedra, and faces with eight equivalent YbO5 square pyramids. There are four shorter (3.12 Å) and eight longer (3.45 Å) Rb–O bond lengths. Yb is bonded to five O atoms to form distorted YbO5 square pyramids that share corners with five equivalent YbO5 square pyramids and faces with four equivalent RbO12 cuboctahedra. There are one shorter (2.20 Å) and four longer (2.26 Å) Yb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to four Rb and two equivalent Yb atoms. In the second O site, O is bonded to four equivalent Rb and two equivalent Yb atoms to form a mixture of distorted edge and corner-sharing ORb4Yb2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗