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Title: Materials Data on Sc7CoCl12 by Materials Project

Abstract

Sc7CoCl12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to one Co and five Cl atoms to form a mixture of edge and corner-sharing ScCoCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. The Sc–Co bond length is 2.40 Å. There are a spread of Sc–Cl bond distances ranging from 2.57–2.82 Å. In the second Sc site, Sc is bonded to six equivalent Cl atoms to form edge-sharing ScCl6 octahedra. All Sc–Cl bond lengths are 2.51 Å. Co is bonded in an octahedral geometry to six equivalent Sc atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three Sc atoms. In the second Cl site, Cl is bonded in a T-shaped geometry to three equivalent Sc atoms.

Authors:
Publication Date:
Other Number(s):
mp-1189852
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; Sc7CoCl12; Cl-Co-Sc
OSTI Identifier:
1732938
DOI:
https://doi.org/10.17188/1732938

Citation Formats

The Materials Project. Materials Data on Sc7CoCl12 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732938.
The Materials Project. Materials Data on Sc7CoCl12 by Materials Project. United States. doi:https://doi.org/10.17188/1732938
The Materials Project. 2019. "Materials Data on Sc7CoCl12 by Materials Project". United States. doi:https://doi.org/10.17188/1732938. https://www.osti.gov/servlets/purl/1732938. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1732938,
title = {Materials Data on Sc7CoCl12 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc7CoCl12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to one Co and five Cl atoms to form a mixture of edge and corner-sharing ScCoCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. The Sc–Co bond length is 2.40 Å. There are a spread of Sc–Cl bond distances ranging from 2.57–2.82 Å. In the second Sc site, Sc is bonded to six equivalent Cl atoms to form edge-sharing ScCl6 octahedra. All Sc–Cl bond lengths are 2.51 Å. Co is bonded in an octahedral geometry to six equivalent Sc atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three Sc atoms. In the second Cl site, Cl is bonded in a T-shaped geometry to three equivalent Sc atoms.},
doi = {10.17188/1732938},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}