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Title: Materials Data on UWC2 by Materials Project

Abstract

UWC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U6+ is bonded in a 6-coordinate geometry to six C4- atoms. There are a spread of U–C bond distances ranging from 2.32–2.68 Å. W2+ is bonded in a 3-coordinate geometry to five C4- atoms. There are a spread of W–C bond distances ranging from 2.08–2.39 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent U6+, two equivalent W2+, and one C4- atom to form a mixture of distorted edge and corner-sharing CU3W2C octahedra. The corner-sharing octahedra tilt angles range from 16–22°. The C–C bond length is 1.51 Å. In the second C4- site, C4- is bonded in a 5-coordinate geometry to three equivalent U6+, three equivalent W2+, and one C4- atom.

Publication Date:
Other Number(s):
mp-20270
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; UWC2; C-U-W
OSTI Identifier:
1195400
DOI:
https://doi.org/10.17188/1195400

Citation Formats

The Materials Project. Materials Data on UWC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195400.
The Materials Project. Materials Data on UWC2 by Materials Project. United States. doi:https://doi.org/10.17188/1195400
The Materials Project. 2020. "Materials Data on UWC2 by Materials Project". United States. doi:https://doi.org/10.17188/1195400. https://www.osti.gov/servlets/purl/1195400. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1195400,
title = {Materials Data on UWC2 by Materials Project},
author = {The Materials Project},
abstractNote = {UWC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U6+ is bonded in a 6-coordinate geometry to six C4- atoms. There are a spread of U–C bond distances ranging from 2.32–2.68 Å. W2+ is bonded in a 3-coordinate geometry to five C4- atoms. There are a spread of W–C bond distances ranging from 2.08–2.39 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent U6+, two equivalent W2+, and one C4- atom to form a mixture of distorted edge and corner-sharing CU3W2C octahedra. The corner-sharing octahedra tilt angles range from 16–22°. The C–C bond length is 1.51 Å. In the second C4- site, C4- is bonded in a 5-coordinate geometry to three equivalent U6+, three equivalent W2+, and one C4- atom.},
doi = {10.17188/1195400},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}