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Title: Materials Data on LiUN2 by Materials Project

Abstract

LiUN2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.23 Å. U5+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing UN6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four shorter (2.23 Å) and two longer (2.33 Å) U–N bond lengths. N3- is bonded to two equivalent Li1+ and three equivalent U5+ atoms to form a mixture of distorted edge and corner-sharing NLi2U3 square pyramids.

Publication Date:
Other Number(s):
mp-31066
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; LiUN2; Li-N-U
OSTI Identifier:
1205392
DOI:
10.17188/1205392

Citation Formats

The Materials Project. Materials Data on LiUN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205392.
The Materials Project. Materials Data on LiUN2 by Materials Project. United States. doi:10.17188/1205392.
The Materials Project. 2020. "Materials Data on LiUN2 by Materials Project". United States. doi:10.17188/1205392. https://www.osti.gov/servlets/purl/1205392. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205392,
title = {Materials Data on LiUN2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiUN2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.23 Å. U5+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing UN6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four shorter (2.23 Å) and two longer (2.33 Å) U–N bond lengths. N3- is bonded to two equivalent Li1+ and three equivalent U5+ atoms to form a mixture of distorted edge and corner-sharing NLi2U3 square pyramids.},
doi = {10.17188/1205392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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