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Title: Materials Data on Li2UN2 by Materials Project

Abstract

Li2UN2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with six equivalent UN6 octahedra, corners with six equivalent LiN4 tetrahedra, edges with three equivalent UN6 octahedra, and edges with three equivalent LiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–58°. There are one shorter (2.11 Å) and three longer (2.22 Å) Li–N bond lengths. U4+ is bonded to six equivalent N3- atoms to form UN6 octahedra that share corners with twelve equivalent LiN4 tetrahedra, edges with six equivalent UN6 octahedra, and edges with six equivalent LiN4 tetrahedra. All U–N bond lengths are 2.37 Å. N3- is bonded to four equivalent Li1+ and three equivalent U4+ atoms to form a mixture of distorted edge and corner-sharing NLi4U3 pentagonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-1206429
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; Li2UN2; Li-N-U
OSTI Identifier:
1753315
DOI:
https://doi.org/10.17188/1753315

Citation Formats

The Materials Project. Materials Data on Li2UN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753315.
The Materials Project. Materials Data on Li2UN2 by Materials Project. United States. doi:https://doi.org/10.17188/1753315
The Materials Project. 2020. "Materials Data on Li2UN2 by Materials Project". United States. doi:https://doi.org/10.17188/1753315. https://www.osti.gov/servlets/purl/1753315. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753315,
title = {Materials Data on Li2UN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2UN2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with six equivalent UN6 octahedra, corners with six equivalent LiN4 tetrahedra, edges with three equivalent UN6 octahedra, and edges with three equivalent LiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–58°. There are one shorter (2.11 Å) and three longer (2.22 Å) Li–N bond lengths. U4+ is bonded to six equivalent N3- atoms to form UN6 octahedra that share corners with twelve equivalent LiN4 tetrahedra, edges with six equivalent UN6 octahedra, and edges with six equivalent LiN4 tetrahedra. All U–N bond lengths are 2.37 Å. N3- is bonded to four equivalent Li1+ and three equivalent U4+ atoms to form a mixture of distorted edge and corner-sharing NLi4U3 pentagonal bipyramids.},
doi = {10.17188/1753315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}