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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb2Te by Materials Project

Rb2Te is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to five equivalent Te2- atoms to form distorted RbTe5 square pyramids that share corners with eight equivalent RbTe5 square pyramids, corners with eight equivalent RbTe4 tetrahedra, edges with six equivalent RbTe5 square pyramids, and edges with six equivalent RbTe4 tetrahedra. There are a spread of Rb–Te bond distances ranging from 3.78–4.23 Å. In the second Rb1+ site, Rb1+ is bonded to four equivalent Te2- atoms to form RbTe4 tetrahedra that share corners with eight equivalent RbTe5 square pyramids, corners with eight equivalent RbTe4 tetrahedra, edges with six equivalent RbTe5 square pyramids, and edges with two equivalent RbTe4 tetrahedra. There are a spread of Rb–Te bond distances ranging from 3.60–3.69 Å. Te2- is bonded in a 9-coordinate geometry to nine Rb1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Te by Materials Project

Rb2Te crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six equivalent Te2- atoms to form RbTe6 octahedra that share corners with twelve equivalent RbTe6 octahedra, corners with twelve equivalent RbTe5 trigonal bipyramids, edges with six equivalent RbTe6 octahedra, faces with two equivalent RbTe6 octahedra, and faces with six equivalent RbTe5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Rb–Te bond distances ranging from 4.08–4.10 Å. In the second Rb1+ site, Rb1+ is bonded to five equivalent Te2- atoms to form RbTe5 trigonal bipyramids that share corners with twelve equivalent RbTe6 octahedra, corners with eight equivalent RbTe5 trigonal bipyramids, edges with six equivalent RbTe5 trigonal bipyramids, and faces with six equivalent RbTe6 octahedra. The corner-sharing octahedra tilt angles range from 30–60°. There are a spread of Rb–Te bond distances ranging from 3.54–4.09 Å. Te2- is bonded in a 11-coordinate geometry to eleven Rb1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Te by Materials Project

Rb2Te is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to four equivalent Te2- atoms to form a mixture of corner and edge-sharing RbTe4 tetrahedra. All Rb–Te bond lengths are 3.73 Å. Te2- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Te by Materials Project

Rb2Te crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six equivalent Te2- atoms to form distorted RbTe6 octahedra that share corners with twelve equivalent RbTe6 octahedra, corners with twelve equivalent RbTe5 trigonal bipyramids, edges with six equivalent RbTe6 octahedra, faces with two equivalent RbTe6 octahedra, and faces with six equivalent RbTe5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Rb–Te bond distances ranging from 4.02–4.21 Å. In the second Rb1+ site, Rb1+ is bonded to five equivalent Te2- atoms to form distorted RbTe5 trigonal bipyramids that share corners with twelve equivalent RbTe6 octahedra, corners with eight equivalent RbTe5 trigonal bipyramids, edges with six equivalent RbTe5 trigonal bipyramids, and faces with six equivalent RbTe6 octahedra. The corner-sharing octahedra tilt angles range from 29–61°. There are a spread of Rb–Te bond distances ranging from 3.55–4.13 Å. Te2- is bonded in a 11-coordinate geometry to eleven Rb1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Te(WO4)3 by Materials Project

Rb2TeW3O12 crystallizes in the trigonal P31c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Rb–O bond lengths are 3.03 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.93 Å) and three longer (3.20 Å) Rb–O bond lengths. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 31–42°. There are a spread of W–O bond distances ranging from 1.79–2.14 Å. Te4+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Te–O bond lengths are 1.92 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one W6+, and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗