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Title: Materials Data on TlCoCl3 by Materials Project

Abstract

TlCoCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. All Co–Cl bond lengths are 2.42 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with six equivalent TlCl12 cuboctahedra, corners with six equivalent CoCl6 octahedra, faces with eight equivalent TlCl12 cuboctahedra, and faces with six equivalent CoCl6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are six shorter (3.50 Å) and six longer (3.61 Å) Tl–Cl bond lengths. Cl1- is bonded in a 6-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms.

Publication Date:
Other Number(s):
mp-569753
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; TlCoCl3; Cl-Co-Tl
OSTI Identifier:
1272767
DOI:
10.17188/1272767

Citation Formats

The Materials Project. Materials Data on TlCoCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272767.
The Materials Project. Materials Data on TlCoCl3 by Materials Project. United States. doi:10.17188/1272767.
The Materials Project. 2020. "Materials Data on TlCoCl3 by Materials Project". United States. doi:10.17188/1272767. https://www.osti.gov/servlets/purl/1272767. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1272767,
title = {Materials Data on TlCoCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {TlCoCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. All Co–Cl bond lengths are 2.42 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with six equivalent TlCl12 cuboctahedra, corners with six equivalent CoCl6 octahedra, faces with eight equivalent TlCl12 cuboctahedra, and faces with six equivalent CoCl6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are six shorter (3.50 Å) and six longer (3.61 Å) Tl–Cl bond lengths. Cl1- is bonded in a 6-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms.},
doi = {10.17188/1272767},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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