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Title: Materials Data on RbAg7S4 by Materials Project

Abstract

RbAg7S4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.60 Å) and four longer (3.68 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.58 Å) and four longer (3.61 Å) Rb–S bond lengths. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.62–2.67 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.66 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–3.14 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.43 Å. There aremore » two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 8-coordinate geometry to two Rb1+ and six Ag1+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two Rb1+ and five Ag1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-30543
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; RbAg7S4; Ag-Rb-S
OSTI Identifier:
1204941
DOI:
https://doi.org/10.17188/1204941

Citation Formats

The Materials Project. Materials Data on RbAg7S4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204941.
The Materials Project. Materials Data on RbAg7S4 by Materials Project. United States. doi:https://doi.org/10.17188/1204941
The Materials Project. 2020. "Materials Data on RbAg7S4 by Materials Project". United States. doi:https://doi.org/10.17188/1204941. https://www.osti.gov/servlets/purl/1204941. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1204941,
title = {Materials Data on RbAg7S4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAg7S4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.60 Å) and four longer (3.68 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.58 Å) and four longer (3.61 Å) Rb–S bond lengths. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.62–2.67 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.66 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–3.14 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.43 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 8-coordinate geometry to two Rb1+ and six Ag1+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two Rb1+ and five Ag1+ atoms.},
doi = {10.17188/1204941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}