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Title: Materials Data on Rb2Ag4S3 by Materials Project

Abstract

Rb2Ag4S3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 39–67°. There are a spread of Rb–S bond distances ranging from 3.44–3.52 Å. In the second Rb1+ site, Rb1+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 39–67°. There are a spread of Rb–S bond distances ranging from 3.37–3.50 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.56 Å) and one longer (2.66 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.19 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.55 Å) and two longer (2.75more » Å) Ag–S bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.49 Å) and one longer (2.73 Å) Ag–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 9-coordinate geometry to three Rb1+ and six Ag1+ atoms. In the second S2- site, S2- is bonded in a 8-coordinate geometry to four Rb1+ and four Ag1+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to five Rb1+ and three Ag1+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-510240
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb2Ag4S3; Ag-Rb-S
OSTI Identifier:
1262858
DOI:
10.17188/1262858

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb2Ag4S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262858.
Persson, Kristin, & Project, Materials. Materials Data on Rb2Ag4S3 by Materials Project. United States. doi:10.17188/1262858.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb2Ag4S3 by Materials Project". United States. doi:10.17188/1262858. https://www.osti.gov/servlets/purl/1262858. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262858,
title = {Materials Data on Rb2Ag4S3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb2Ag4S3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 39–67°. There are a spread of Rb–S bond distances ranging from 3.44–3.52 Å. In the second Rb1+ site, Rb1+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 39–67°. There are a spread of Rb–S bond distances ranging from 3.37–3.50 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.56 Å) and one longer (2.66 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.19 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.55 Å) and two longer (2.75 Å) Ag–S bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.49 Å) and one longer (2.73 Å) Ag–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 9-coordinate geometry to three Rb1+ and six Ag1+ atoms. In the second S2- site, S2- is bonded in a 8-coordinate geometry to four Rb1+ and four Ag1+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to five Rb1+ and three Ag1+ atoms.},
doi = {10.17188/1262858},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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