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Title: Materials Data on Cs3Ag9(SbS3)4 by Materials Project

Abstract

Cs3Ag9(SbS3)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.61 Å) and four longer (3.70 Å) Cs–S bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.58–3.75 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 2.82 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 2.52–3.19 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 2.54–3.35 Å. Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.47 Å) and one longer (2.50 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In themore » first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, two Ag1+, and one Sb3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two Cs1+, three Ag1+, and one Sb3+ atom. In the third S2- site, S2- is bonded in a 7-coordinate geometry to two Cs1+, four Ag1+, and one Sb3+ atom.« less

Publication Date:
Other Number(s):
mp-1226259
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; Cs3Ag9(SbS3)4; Ag-Cs-S-Sb
OSTI Identifier:
1651526
DOI:
https://doi.org/10.17188/1651526

Citation Formats

The Materials Project. Materials Data on Cs3Ag9(SbS3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651526.
The Materials Project. Materials Data on Cs3Ag9(SbS3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1651526
The Materials Project. 2020. "Materials Data on Cs3Ag9(SbS3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1651526. https://www.osti.gov/servlets/purl/1651526. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1651526,
title = {Materials Data on Cs3Ag9(SbS3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3Ag9(SbS3)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.61 Å) and four longer (3.70 Å) Cs–S bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.58–3.75 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 2.82 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 2.52–3.19 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 2.54–3.35 Å. Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.47 Å) and one longer (2.50 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, two Ag1+, and one Sb3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two Cs1+, three Ag1+, and one Sb3+ atom. In the third S2- site, S2- is bonded in a 7-coordinate geometry to two Cs1+, four Ag1+, and one Sb3+ atom.},
doi = {10.17188/1651526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}