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Title: Materials Data on Cs2MoCl6 by Materials Project

Abstract

Cs2MoCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent MoCl6 octahedra. All Cs–Cl bond lengths are 3.76 Å. Mo4+ is bonded to six equivalent Cl1- atoms to form MoCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Mo–Cl bond lengths are 2.40 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Mo4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-570990
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; Cs2MoCl6; Cl-Cs-Mo
OSTI Identifier:
1276039
DOI:
https://doi.org/10.17188/1276039

Citation Formats

The Materials Project. Materials Data on Cs2MoCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276039.
The Materials Project. Materials Data on Cs2MoCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1276039
The Materials Project. 2020. "Materials Data on Cs2MoCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1276039. https://www.osti.gov/servlets/purl/1276039. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276039,
title = {Materials Data on Cs2MoCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2MoCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent MoCl6 octahedra. All Cs–Cl bond lengths are 3.76 Å. Mo4+ is bonded to six equivalent Cl1- atoms to form MoCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Mo–Cl bond lengths are 2.40 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Mo4+ atom.},
doi = {10.17188/1276039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}