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Title: Materials Data on Cs2Te10Mo9 by Materials Project

Abstract

Cs2Mo9Te10 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.90–4.10 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.88–4.13 Å. There are three inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Mo–Te bond distances ranging from 2.79–2.90 Å. In the second Mo2+ site, Mo2+ is bonded to five Te2- atoms to form a mixture of edge and corner-sharing MoTe5 square pyramids. There are a spread of Mo–Te bond distances ranging from 2.73–2.93 Å. In the third Mo2+ site, Mo2+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to one Cs1+ and three equivalent Mo2+ atoms. In the secondmore » Te2- site, Te2- is bonded in a 5-coordinate geometry to one Cs1+ and four Mo2+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two Cs1+ and four Mo2+ atoms. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to three Cs1+ and four Mo2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-581150
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; Cs2Te10Mo9; Cs-Mo-Te
OSTI Identifier:
1276815
DOI:
https://doi.org/10.17188/1276815

Citation Formats

The Materials Project. Materials Data on Cs2Te10Mo9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276815.
The Materials Project. Materials Data on Cs2Te10Mo9 by Materials Project. United States. doi:https://doi.org/10.17188/1276815
The Materials Project. 2020. "Materials Data on Cs2Te10Mo9 by Materials Project". United States. doi:https://doi.org/10.17188/1276815. https://www.osti.gov/servlets/purl/1276815. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1276815,
title = {Materials Data on Cs2Te10Mo9 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Mo9Te10 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.90–4.10 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.88–4.13 Å. There are three inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Mo–Te bond distances ranging from 2.79–2.90 Å. In the second Mo2+ site, Mo2+ is bonded to five Te2- atoms to form a mixture of edge and corner-sharing MoTe5 square pyramids. There are a spread of Mo–Te bond distances ranging from 2.73–2.93 Å. In the third Mo2+ site, Mo2+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to one Cs1+ and three equivalent Mo2+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to one Cs1+ and four Mo2+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two Cs1+ and four Mo2+ atoms. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to three Cs1+ and four Mo2+ atoms.},
doi = {10.17188/1276815},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}