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Title: Materials Data on UCrC2 by Materials Project

Abstract

UCrC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U5+ is bonded to six C4- atoms to form distorted UC6 octahedra that share corners with three equivalent CU3Cr3C hexagonal pyramids, corners with four equivalent UC6 octahedra, and edges with four equivalent UC6 octahedra. The corner-sharing octahedra tilt angles range from 9–83°. There are a spread of U–C bond distances ranging from 2.37–2.65 Å. Cr3+ is bonded in a 6-coordinate geometry to six C4- atoms. There are a spread of Cr–C bond distances ranging from 1.95–2.28 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent U5+, three equivalent Cr3+, and one C4- atom to form distorted CU3Cr3C hexagonal pyramids that share corners with three equivalent UC6 octahedra and edges with six equivalent CU3Cr3C hexagonal pyramids. The corner-sharing octahedra tilt angles range from 32–118°. The C–C bond length is 1.53 Å. In the second C4- site, C4- is bonded in a 7-coordinate geometry to three equivalent U5+, three equivalent Cr3+, and one C4- atom.

Authors:
Publication Date:
Other Number(s):
mp-22310
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; UCrC2; C-Cr-U
OSTI Identifier:
1197544
DOI:
https://doi.org/10.17188/1197544

Citation Formats

The Materials Project. Materials Data on UCrC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197544.
The Materials Project. Materials Data on UCrC2 by Materials Project. United States. doi:https://doi.org/10.17188/1197544
The Materials Project. 2020. "Materials Data on UCrC2 by Materials Project". United States. doi:https://doi.org/10.17188/1197544. https://www.osti.gov/servlets/purl/1197544. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197544,
title = {Materials Data on UCrC2 by Materials Project},
author = {The Materials Project},
abstractNote = {UCrC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U5+ is bonded to six C4- atoms to form distorted UC6 octahedra that share corners with three equivalent CU3Cr3C hexagonal pyramids, corners with four equivalent UC6 octahedra, and edges with four equivalent UC6 octahedra. The corner-sharing octahedra tilt angles range from 9–83°. There are a spread of U–C bond distances ranging from 2.37–2.65 Å. Cr3+ is bonded in a 6-coordinate geometry to six C4- atoms. There are a spread of Cr–C bond distances ranging from 1.95–2.28 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent U5+, three equivalent Cr3+, and one C4- atom to form distorted CU3Cr3C hexagonal pyramids that share corners with three equivalent UC6 octahedra and edges with six equivalent CU3Cr3C hexagonal pyramids. The corner-sharing octahedra tilt angles range from 32–118°. The C–C bond length is 1.53 Å. In the second C4- site, C4- is bonded in a 7-coordinate geometry to three equivalent U5+, three equivalent Cr3+, and one C4- atom.},
doi = {10.17188/1197544},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}