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Title: Materials Data on Cs2S5 by Materials Project

Abstract

Cs2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine S+0.40- atoms. There are a spread of Cs–S bond distances ranging from 3.58–4.05 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten S+0.40- atoms. There are a spread of Cs–S bond distances ranging from 3.52–4.13 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 7-coordinate geometry to six Cs1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the second S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Cs1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the third S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three Cs1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one Cs1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fifth S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to four Cs1+ andmore » two S+0.40- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1193140
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; Cs2S5; Cs-S
OSTI Identifier:
1746490
DOI:
https://doi.org/10.17188/1746490

Citation Formats

The Materials Project. Materials Data on Cs2S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746490.
The Materials Project. Materials Data on Cs2S5 by Materials Project. United States. doi:https://doi.org/10.17188/1746490
The Materials Project. 2020. "Materials Data on Cs2S5 by Materials Project". United States. doi:https://doi.org/10.17188/1746490. https://www.osti.gov/servlets/purl/1746490. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1746490,
title = {Materials Data on Cs2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine S+0.40- atoms. There are a spread of Cs–S bond distances ranging from 3.58–4.05 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten S+0.40- atoms. There are a spread of Cs–S bond distances ranging from 3.52–4.13 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 7-coordinate geometry to six Cs1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the second S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Cs1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the third S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three Cs1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one Cs1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fifth S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to four Cs1+ and two S+0.40- atoms.},
doi = {10.17188/1746490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}