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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb(TeO3)2 by Materials Project

Rb(TeO3)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Rb is bonded to six equivalent O atoms to form RbO6 octahedra that share corners with twelve equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 68°. All Rb–O bond lengths are 3.21 Å. Te is bonded to six equivalent O atoms to form TeO6 octahedra that share corners with six equivalent RbO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–68°. All Te–O bond lengths are 2.00 Å. O is bonded in a 3-coordinate geometry to one Rb and two equivalent Te atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2TeO3 by Materials Project

Rb2TeO3 is Krennerite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six O2- atoms to form face-sharing RbO6 octahedra. There are two shorter (2.84 Å) and four longer (2.86 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 3.05–3.45 Å. In the third Rb1+ site, Rb1+ is bonded to six O2- atoms to form face-sharing RbO6 octahedra. There are two shorter (2.90 Å) and four longer (3.09 Å) Rb–O bond lengths. Te4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Te–O bond lengths are 1.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Te4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbTeO3 by Materials Project

RbTeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent TeO6 octahedra. All Rb–O bond lengths are 2.95 Å. Te is bonded to six equivalent O atoms to form TeO6 octahedra that share corners with six equivalent TeO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 2.09 Å. O is bonded to four equivalent Rb and two equivalent Te atoms to form a mixture of distorted corner, edge, and face-sharing ORb4Te2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗