DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on U2CoS5 by Materials Project

Abstract

U2CoS5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.62–3.01 Å. Co2+ is bonded to six S2- atoms to form corner-sharing CoS6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Co–S bond distances ranging from 2.38–2.44 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent U4+ atoms to form distorted edge-sharing SU4 trigonal pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent U4+ and one Co2+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1188815
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; U2CoS5; Co-S-U
OSTI Identifier:
1731881
DOI:
https://doi.org/10.17188/1731881

Citation Formats

The Materials Project. Materials Data on U2CoS5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731881.
The Materials Project. Materials Data on U2CoS5 by Materials Project. United States. doi:https://doi.org/10.17188/1731881
The Materials Project. 2020. "Materials Data on U2CoS5 by Materials Project". United States. doi:https://doi.org/10.17188/1731881. https://www.osti.gov/servlets/purl/1731881. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1731881,
title = {Materials Data on U2CoS5 by Materials Project},
author = {The Materials Project},
abstractNote = {U2CoS5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.62–3.01 Å. Co2+ is bonded to six S2- atoms to form corner-sharing CoS6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Co–S bond distances ranging from 2.38–2.44 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent U4+ atoms to form distorted edge-sharing SU4 trigonal pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent U4+ and one Co2+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms.},
doi = {10.17188/1731881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}