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Title: Materials Data on LiCrN2 by Materials Project

Abstract

LiCrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra and corners with eight equivalent CrN4 tetrahedra. All Li–N bond lengths are 2.13 Å. Cr5+ is bonded to four equivalent N3- atoms to form CrN4 tetrahedra that share corners with four equivalent CrN4 tetrahedra and corners with eight equivalent LiN4 tetrahedra. All Cr–N bond lengths are 1.79 Å. N3- is bonded to two equivalent Li1+ and two equivalent Cr5+ atoms to form corner-sharing NLi2Cr2 tetrahedra.

Publication Date:
Other Number(s):
mp-1029395
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; LiCrN2; Cr-Li-N
OSTI Identifier:
1753682
DOI:
https://doi.org/10.17188/1753682

Citation Formats

The Materials Project. Materials Data on LiCrN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753682.
The Materials Project. Materials Data on LiCrN2 by Materials Project. United States. doi:https://doi.org/10.17188/1753682
The Materials Project. 2020. "Materials Data on LiCrN2 by Materials Project". United States. doi:https://doi.org/10.17188/1753682. https://www.osti.gov/servlets/purl/1753682. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753682,
title = {Materials Data on LiCrN2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra and corners with eight equivalent CrN4 tetrahedra. All Li–N bond lengths are 2.13 Å. Cr5+ is bonded to four equivalent N3- atoms to form CrN4 tetrahedra that share corners with four equivalent CrN4 tetrahedra and corners with eight equivalent LiN4 tetrahedra. All Cr–N bond lengths are 1.79 Å. N3- is bonded to two equivalent Li1+ and two equivalent Cr5+ atoms to form corner-sharing NLi2Cr2 tetrahedra.},
doi = {10.17188/1753682},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}