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Title: Materials Data on Rb3SbS3 by Materials Project

Abstract

Rb3SbS3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. There are three shorter (3.34 Å) and three longer (3.49 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are three shorter (3.33 Å) and three longer (3.52 Å) Rb–S bond lengths. In the third Rb1+ site, Rb1+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 34–62°. There are three shorter (3.67 Å) and three longer (3.72 Å) Rb–S bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.46 Å. S2- is bonded to six Rb1+ and one Sb3+ atom to form a mixture of distorted face, edge, and corner-sharing SRb6Sb pentagonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-1193319
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb3SbS3; Rb-S-Sb
OSTI Identifier:
1666550
DOI:
https://doi.org/10.17188/1666550

Citation Formats

The Materials Project. Materials Data on Rb3SbS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666550.
The Materials Project. Materials Data on Rb3SbS3 by Materials Project. United States. doi:https://doi.org/10.17188/1666550
The Materials Project. 2020. "Materials Data on Rb3SbS3 by Materials Project". United States. doi:https://doi.org/10.17188/1666550. https://www.osti.gov/servlets/purl/1666550. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1666550,
title = {Materials Data on Rb3SbS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3SbS3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. There are three shorter (3.34 Å) and three longer (3.49 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are three shorter (3.33 Å) and three longer (3.52 Å) Rb–S bond lengths. In the third Rb1+ site, Rb1+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 34–62°. There are three shorter (3.67 Å) and three longer (3.72 Å) Rb–S bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.46 Å. S2- is bonded to six Rb1+ and one Sb3+ atom to form a mixture of distorted face, edge, and corner-sharing SRb6Sb pentagonal bipyramids.},
doi = {10.17188/1666550},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}