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Title: Materials Data on UCoSe3 by Materials Project

Abstract

UCoSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.76–3.06 Å. Co2+ is bonded to six Se2- atoms to form corner-sharing CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 41–48°. There are a spread of Co–Se bond distances ranging from 2.44–2.54 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent U4+ and two equivalent Co2+ atoms to form distorted corner-sharing SeU2Co2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms.

Publication Date:
Other Number(s):
mp-1188226
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; UCoSe3; Co-Se-U
OSTI Identifier:
1743780
DOI:
https://doi.org/10.17188/1743780

Citation Formats

The Materials Project. Materials Data on UCoSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743780.
The Materials Project. Materials Data on UCoSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1743780
The Materials Project. 2020. "Materials Data on UCoSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1743780. https://www.osti.gov/servlets/purl/1743780. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1743780,
title = {Materials Data on UCoSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {UCoSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.76–3.06 Å. Co2+ is bonded to six Se2- atoms to form corner-sharing CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 41–48°. There are a spread of Co–Se bond distances ranging from 2.44–2.54 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent U4+ and two equivalent Co2+ atoms to form distorted corner-sharing SeU2Co2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms.},
doi = {10.17188/1743780},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}