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Title: Materials Data on Co3Cl by Materials Project

Abstract

Co3Cl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Co and four equivalent Cl atoms to form a mixture of distorted face, edge, and corner-sharing CoCo4Cl4 tetrahedra. All Co–Co bond lengths are 2.54 Å. All Co–Cl bond lengths are 2.54 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight equivalent Co and six equivalent Cl atoms. All Co–Cl bond lengths are 2.93 Å. Cl is bonded in a distorted body-centered cubic geometry to fourteen Co atoms.

Authors:
Publication Date:
Other Number(s):
mp-1183689
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; Co3Cl; Cl-Co
OSTI Identifier:
1689689
DOI:
https://doi.org/10.17188/1689689

Citation Formats

The Materials Project. Materials Data on Co3Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689689.
The Materials Project. Materials Data on Co3Cl by Materials Project. United States. doi:https://doi.org/10.17188/1689689
The Materials Project. 2020. "Materials Data on Co3Cl by Materials Project". United States. doi:https://doi.org/10.17188/1689689. https://www.osti.gov/servlets/purl/1689689. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689689,
title = {Materials Data on Co3Cl by Materials Project},
author = {The Materials Project},
abstractNote = {Co3Cl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Co and four equivalent Cl atoms to form a mixture of distorted face, edge, and corner-sharing CoCo4Cl4 tetrahedra. All Co–Co bond lengths are 2.54 Å. All Co–Cl bond lengths are 2.54 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight equivalent Co and six equivalent Cl atoms. All Co–Cl bond lengths are 2.93 Å. Cl is bonded in a distorted body-centered cubic geometry to fourteen Co atoms.},
doi = {10.17188/1689689},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}