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Results for “B-Rb-S”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RbBS2 by Materials Project

RbBS2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded to seven S2- atoms to form a mixture of corner, edge, and face-sharing RbS7 pentagonal bipyramids. There are a spread of Rb–S bond distances ranging from 3.40–3.65 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.78 Å) and two longer (1.84 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+ and two equivalent B3+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to five equivalent Rb1+ and one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3BS3 by Materials Project

Rb3BS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.32–3.61 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.34–3.51 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to four S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.43 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. All B–S bond lengths are 1.84 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to five Rb1+ and one B3+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to six Rb1+ and one B3+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to five Rb1+ and one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBS3 by Materials Project

RbBS3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four rubidium molecules and two BS3 ribbons oriented in the (1, 0, 0) direction. In each BS3 ribbon, B3- is bonded to four S+0.67+ atoms to form corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.91–1.96 Å. There are three inequivalent S+0.67+ sites. In the first S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one B3- atom. In the second S+0.67+ site, S+0.67+ is bonded in a water-like geometry to two equivalent B3- atoms. In the third S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one B3- atom.

36 MATERIALS SCIENCE↗