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Title: Materials Data on UTaC2 by Materials Project

Abstract

UTaC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U3+ is bonded to six equivalent C4- atoms to form UC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 5°. All U–C bond lengths are 2.43 Å. Ta5+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent UC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Ta–C bond lengths are 2.27 Å. C4- is bonded to three equivalent U3+ and three equivalent Ta5+ atoms to form a mixture of edge and corner-sharing CU3Ta3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1216627
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; UTaC2; C-Ta-U
OSTI Identifier:
1706769
DOI:
https://doi.org/10.17188/1706769

Citation Formats

The Materials Project. Materials Data on UTaC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706769.
The Materials Project. Materials Data on UTaC2 by Materials Project. United States. doi:https://doi.org/10.17188/1706769
The Materials Project. 2020. "Materials Data on UTaC2 by Materials Project". United States. doi:https://doi.org/10.17188/1706769. https://www.osti.gov/servlets/purl/1706769. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1706769,
title = {Materials Data on UTaC2 by Materials Project},
author = {The Materials Project},
abstractNote = {UTaC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U3+ is bonded to six equivalent C4- atoms to form UC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 5°. All U–C bond lengths are 2.43 Å. Ta5+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent UC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Ta–C bond lengths are 2.27 Å. C4- is bonded to three equivalent U3+ and three equivalent Ta5+ atoms to form a mixture of edge and corner-sharing CU3Ta3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1706769},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}