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Title: Materials Data on Rb3Ag9(SbS3)4 by Materials Project

Abstract

Rb3Ag9(SbS3)4 crystallizes in the tetragonal I-4 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 (3.49 Å) and four longer (3.61 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.45–3.67 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. All Ag–S bond lengths are 2.83 Å. 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 2.52–3.17 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–3.34 Å. Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–2.49 Å. There are three inequivalent S2- sites. In the first S2-more » site, S2- is bonded in a 7-coordinate geometry to two Rb1+, four Ag1+, and one Sb3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two Rb1+, three Ag1+, and one Sb3+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two Ag1+, and one Sb3+ atom.« less

Publication Date:
Other Number(s):
mp-1219697
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; Rb3Ag9(SbS3)4; Ag-Rb-S-Sb
OSTI Identifier:
1742165
DOI:
https://doi.org/10.17188/1742165

Citation Formats

The Materials Project. Materials Data on Rb3Ag9(SbS3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1742165.
The Materials Project. Materials Data on Rb3Ag9(SbS3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1742165
The Materials Project. 2020. "Materials Data on Rb3Ag9(SbS3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1742165. https://www.osti.gov/servlets/purl/1742165. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1742165,
title = {Materials Data on Rb3Ag9(SbS3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3Ag9(SbS3)4 crystallizes in the tetragonal I-4 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 (3.49 Å) and four longer (3.61 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.45–3.67 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. All Ag–S bond lengths are 2.83 Å. 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 2.52–3.17 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–3.34 Å. Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–2.49 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to two Rb1+, four Ag1+, and one Sb3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two Rb1+, three Ag1+, and one Sb3+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two Ag1+, and one Sb3+ atom.},
doi = {10.17188/1742165},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}