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Title: Materials Data on LaU3C8 by Materials Project

Abstract

U3LaC8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. U+4.33+ is bonded to six C2- atoms to form UC6 octahedra that share corners with eight equivalent UC6 octahedra, corners with two equivalent CU3C tetrahedra, and edges with four equivalent LaC12 cuboctahedra. The corner-sharing octahedra tilt angles range from 68–71°. There are a spread of U–C bond distances ranging from 2.28–2.43 Å. La3+ is bonded to twelve equivalent C2- atoms to form LaC12 cuboctahedra that share edges with six equivalent LaC12 cuboctahedra and edges with twelve equivalent UC6 octahedra. There are six shorter (2.76 Å) and six longer (2.93 Å) La–C bond lengths. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent U+4.33+, two equivalent La3+, and one C2- atom. The C–C bond length is 1.37 Å. In the second C2- site, C2- is bonded to three equivalent U+4.33+ and one C2- atom to form CU3C tetrahedra that share corners with three equivalent UC6 octahedra and corners with three equivalent CU3C tetrahedra. The corner-sharing octahedral tilt angles are 70°. The C–C bond length is 1.44 Å.

Authors:
Publication Date:
Other Number(s):
mp-1222759
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; LaU3C8; C-La-U
OSTI Identifier:
1736435
DOI:
https://doi.org/10.17188/1736435

Citation Formats

The Materials Project. Materials Data on LaU3C8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1736435.
The Materials Project. Materials Data on LaU3C8 by Materials Project. United States. doi:https://doi.org/10.17188/1736435
The Materials Project. 2020. "Materials Data on LaU3C8 by Materials Project". United States. doi:https://doi.org/10.17188/1736435. https://www.osti.gov/servlets/purl/1736435. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1736435,
title = {Materials Data on LaU3C8 by Materials Project},
author = {The Materials Project},
abstractNote = {U3LaC8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. U+4.33+ is bonded to six C2- atoms to form UC6 octahedra that share corners with eight equivalent UC6 octahedra, corners with two equivalent CU3C tetrahedra, and edges with four equivalent LaC12 cuboctahedra. The corner-sharing octahedra tilt angles range from 68–71°. There are a spread of U–C bond distances ranging from 2.28–2.43 Å. La3+ is bonded to twelve equivalent C2- atoms to form LaC12 cuboctahedra that share edges with six equivalent LaC12 cuboctahedra and edges with twelve equivalent UC6 octahedra. There are six shorter (2.76 Å) and six longer (2.93 Å) La–C bond lengths. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent U+4.33+, two equivalent La3+, and one C2- atom. The C–C bond length is 1.37 Å. In the second C2- site, C2- is bonded to three equivalent U+4.33+ and one C2- atom to form CU3C tetrahedra that share corners with three equivalent UC6 octahedra and corners with three equivalent CU3C tetrahedra. The corner-sharing octahedral tilt angles are 70°. The C–C bond length is 1.44 Å.},
doi = {10.17188/1736435},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}