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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RbTe6 by Materials Project

RbTe6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve Te+0.17- atoms. There are a spread of Rb–Te bond distances ranging from 3.69–4.25 Å. There are three inequivalent Te+0.17- sites. In the first Te+0.17- site, Te+0.17- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and three Te+0.17- atoms. There are a spread of Te–Te bond distances ranging from 2.83–3.55 Å. In the second Te+0.17- site, Te+0.17- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and four Te+0.17- atoms. There are a spread of Te–Te bond distances ranging from 3.20–3.37 Å. In the third Te+0.17- site, Te+0.17- is bonded in a 7-coordinate geometry to two equivalent Rb1+ and five Te+0.17- 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 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 RbYTe2 by Materials Project

RbYTe2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Te2- atoms to form distorted RbTe6 pentagonal pyramids that share corners with six equivalent YTe6 octahedra, edges with six equivalent YTe6 octahedra, and edges with six equivalent RbTe6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. All Rb–Te bond lengths are 3.67 Å. Y3+ is bonded to six equivalent Te2- atoms to form YTe6 octahedra that share corners with six equivalent RbTe6 pentagonal pyramids, edges with six equivalent YTe6 octahedra, and edges with six equivalent RbTe6 pentagonal pyramids. All Y–Te bond lengths are 3.12 Å. Te2- is bonded to three equivalent Rb1+ and three equivalent Y3+ atoms to form a mixture of edge, face, and corner-sharing TeRb3Y3 octahedra. The corner-sharing octahedra tilt angles range from 0–42°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbCeTe2 by Materials Project

RbCeTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Te2- atoms to form distorted RbTe6 octahedra that share corners with six equivalent CeTe6 octahedra, edges with six equivalent RbTe6 octahedra, and edges with six equivalent CeTe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Rb–Te bond lengths are 3.71 Å. Ce3+ is bonded to six equivalent Te2- atoms to form CeTe6 octahedra that share corners with six equivalent RbTe6 octahedra, edges with six equivalent RbTe6 octahedra, and edges with six equivalent CeTe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Ce–Te bond lengths are 3.23 Å. Te2- is bonded to three equivalent Rb1+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing TeRb3Ce3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbNdTe2 by Materials Project

RbNdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Te2- atoms to form distorted RbTe6 octahedra that share corners with six equivalent NdTe6 octahedra, edges with six equivalent RbTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Rb–Te bond lengths are 3.69 Å. Nd3+ is bonded to six equivalent Te2- atoms to form NdTe6 octahedra that share corners with six equivalent RbTe6 octahedra, edges with six equivalent RbTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Nd–Te bond lengths are 3.21 Å. Te2- is bonded to three equivalent Rb1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing TeRb3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSmTe2 by Materials Project

RbSmTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Te2- atoms to form distorted RbTe6 octahedra that share corners with six equivalent SmTe6 octahedra, edges with six equivalent RbTe6 octahedra, and edges with six equivalent SmTe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Rb–Te bond lengths are 3.68 Å. Sm3+ is bonded to six equivalent Te2- atoms to form SmTe6 octahedra that share corners with six equivalent RbTe6 octahedra, edges with six equivalent RbTe6 octahedra, and edges with six equivalent SmTe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Sm–Te bond lengths are 3.17 Å. Te2- is bonded to three equivalent Rb1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing TeRb3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbTe by Materials Project

RbTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Te1- atoms to form a mixture of corner and edge-sharing RbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Te bond lengths are 3.74 Å. Te1- is bonded to six equivalent Rb1+ atoms to form a mixture of corner and edge-sharing TeRb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗