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Title: Materials Data on UCoS3 by Materials Project

Abstract

UCoS3 crystallizes in the orthorhombic Pna2_1 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 2.64–2.88 Å. Co2+ is bonded to six S2- atoms to form corner-sharing CoS6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Co–S bond distances ranging from 2.27–2.41 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms. In the third S2- site, S2- is bonded to two equivalent U4+ and two equivalent Co2+ atoms to form distorted corner-sharing SU2Co2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-1105902
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; UCoS3; Co-S-U
OSTI Identifier:
1662502
DOI:
https://doi.org/10.17188/1662502

Citation Formats

The Materials Project. Materials Data on UCoS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662502.
The Materials Project. Materials Data on UCoS3 by Materials Project. United States. doi:https://doi.org/10.17188/1662502
The Materials Project. 2020. "Materials Data on UCoS3 by Materials Project". United States. doi:https://doi.org/10.17188/1662502. https://www.osti.gov/servlets/purl/1662502. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1662502,
title = {Materials Data on UCoS3 by Materials Project},
author = {The Materials Project},
abstractNote = {UCoS3 crystallizes in the orthorhombic Pna2_1 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 2.64–2.88 Å. Co2+ is bonded to six S2- atoms to form corner-sharing CoS6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Co–S bond distances ranging from 2.27–2.41 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms. In the third S2- site, S2- is bonded to two equivalent U4+ and two equivalent Co2+ atoms to form distorted corner-sharing SU2Co2 trigonal pyramids.},
doi = {10.17188/1662502},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}