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Title: Materials Data on Tl2MoCl6 by Materials Project

Abstract

MoTl2Cl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent Cl1- atoms to form MoCl6 octahedra that share faces with eight equivalent TlCl12 cuboctahedra. All Mo–Cl bond lengths are 2.39 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with twelve equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with four equivalent MoCl6 octahedra. All Tl–Cl bond lengths are 3.56 Å. Cl1- is bonded in a distorted single-bond geometry to one Mo4+ and four equivalent Tl1+ atoms.

Publication Date:
Other Number(s):
mp-29562
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; Tl2MoCl6; Cl-Mo-Tl
OSTI Identifier:
1204018
DOI:
10.17188/1204018

Citation Formats

The Materials Project. Materials Data on Tl2MoCl6 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1204018.
The Materials Project. Materials Data on Tl2MoCl6 by Materials Project. United States. doi:10.17188/1204018.
The Materials Project. 2017. "Materials Data on Tl2MoCl6 by Materials Project". United States. doi:10.17188/1204018. https://www.osti.gov/servlets/purl/1204018. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1204018,
title = {Materials Data on Tl2MoCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {MoTl2Cl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent Cl1- atoms to form MoCl6 octahedra that share faces with eight equivalent TlCl12 cuboctahedra. All Mo–Cl bond lengths are 2.39 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with twelve equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with four equivalent MoCl6 octahedra. All Tl–Cl bond lengths are 3.56 Å. Cl1- is bonded in a distorted single-bond geometry to one Mo4+ and four equivalent Tl1+ atoms.},
doi = {10.17188/1204018},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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