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Title: Materials Data on Cs(MoS)9 by Materials Project

Abstract

Cs(MoS)9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine S atoms. There are three shorter (3.65 Å) and six longer (3.68 Å) Cs–S bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.50–2.55 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are two shorter (2.50 Å) and two longer (2.54 Å) Mo–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to one Cs and four Mo atoms. In the second S site, S is bonded in a distorted pentagonal planar geometry to one Cs and four Mo atoms.

Authors:
Publication Date:
Other Number(s):
mp-1226696
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; Cs(MoS)9; Cs-Mo-S
OSTI Identifier:
1753584
DOI:
https://doi.org/10.17188/1753584

Citation Formats

The Materials Project. Materials Data on Cs(MoS)9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753584.
The Materials Project. Materials Data on Cs(MoS)9 by Materials Project. United States. doi:https://doi.org/10.17188/1753584
The Materials Project. 2020. "Materials Data on Cs(MoS)9 by Materials Project". United States. doi:https://doi.org/10.17188/1753584. https://www.osti.gov/servlets/purl/1753584. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1753584,
title = {Materials Data on Cs(MoS)9 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs(MoS)9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine S atoms. There are three shorter (3.65 Å) and six longer (3.68 Å) Cs–S bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.50–2.55 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are two shorter (2.50 Å) and two longer (2.54 Å) Mo–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to one Cs and four Mo atoms. In the second S site, S is bonded in a distorted pentagonal planar geometry to one Cs and four Mo atoms.},
doi = {10.17188/1753584},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}