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Title: Materials Data on Cs(TeMo)3 by Materials Project

Abstract

Cs(MoTe)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 3-coordinate geometry to nine Te atoms. There are a spread of Cs–Te bond distances ranging from 3.78–4.38 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are two shorter (2.67 Å) and four longer (2.78 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are one shorter (2.67 Å) and two longer (2.78 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. In the third Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to three equivalent Cs and four Mo atoms. In the second Te site, Te is bonded in a 7-coordinate geometrymore » to three equivalent Cs and four Mo atoms. In the third Te site, Te is bonded in a 7-coordinate geometry to three equivalent Cs and four Mo atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1104612
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(TeMo)3; Cs-Mo-Te
OSTI Identifier:
1694916
DOI:
https://doi.org/10.17188/1694916

Citation Formats

The Materials Project. Materials Data on Cs(TeMo)3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1694916.
The Materials Project. Materials Data on Cs(TeMo)3 by Materials Project. United States. doi:https://doi.org/10.17188/1694916
The Materials Project. 2018. "Materials Data on Cs(TeMo)3 by Materials Project". United States. doi:https://doi.org/10.17188/1694916. https://www.osti.gov/servlets/purl/1694916. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1694916,
title = {Materials Data on Cs(TeMo)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs(MoTe)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 3-coordinate geometry to nine Te atoms. There are a spread of Cs–Te bond distances ranging from 3.78–4.38 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are two shorter (2.67 Å) and four longer (2.78 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are one shorter (2.67 Å) and two longer (2.78 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. In the third Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to three equivalent Cs and four Mo atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to three equivalent Cs and four Mo atoms. In the third Te site, Te is bonded in a 7-coordinate geometry to three equivalent Cs and four Mo atoms.},
doi = {10.17188/1694916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}