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Title: Materials Data on CsTe7Mo6 by Materials Project

Abstract

CsMo6Te7 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.87–4.20 Å. There are two inequivalent Mo+2.17+ sites. In the first Mo+2.17+ site, Mo+2.17+ is bonded to five Te2- atoms to form a mixture of corner and edge-sharing MoTe5 square pyramids. There are a spread of Mo–Te bond distances ranging from 2.74–2.92 Å. In the second Mo+2.17+ site, Mo+2.17+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Mo–Te bond distances ranging from 2.79–2.88 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to one Cs1+ and four Mo+2.17+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four Mo+2.17+ atoms. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to one Cs1+ and three equivalent Mo+2.17+ atoms.

Publication Date:
Other Number(s):
mp-18193
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; CsTe7Mo6; Cs-Mo-Te
OSTI Identifier:
1192962
DOI:
https://doi.org/10.17188/1192962

Citation Formats

The Materials Project. Materials Data on CsTe7Mo6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192962.
The Materials Project. Materials Data on CsTe7Mo6 by Materials Project. United States. doi:https://doi.org/10.17188/1192962
The Materials Project. 2020. "Materials Data on CsTe7Mo6 by Materials Project". United States. doi:https://doi.org/10.17188/1192962. https://www.osti.gov/servlets/purl/1192962. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1192962,
title = {Materials Data on CsTe7Mo6 by Materials Project},
author = {The Materials Project},
abstractNote = {CsMo6Te7 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.87–4.20 Å. There are two inequivalent Mo+2.17+ sites. In the first Mo+2.17+ site, Mo+2.17+ is bonded to five Te2- atoms to form a mixture of corner and edge-sharing MoTe5 square pyramids. There are a spread of Mo–Te bond distances ranging from 2.74–2.92 Å. In the second Mo+2.17+ site, Mo+2.17+ is bonded in a see-saw-like geometry to four Te2- atoms. There are a spread of Mo–Te bond distances ranging from 2.79–2.88 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to one Cs1+ and four Mo+2.17+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four Mo+2.17+ atoms. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to one Cs1+ and three equivalent Mo+2.17+ atoms.},
doi = {10.17188/1192962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}