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Title: Materials Data on LiCa2CuN2 by Materials Project

Abstract

LiCa2CuN2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Li1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.89 Å. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of edge and corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.50 Å. Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.86 Å. N3- is bonded to one Li1+, four equivalent Ca2+, and one Cu1+ atom to form a mixture of edge and corner-sharing NLiCa4Cu octahedra. The corner-sharing octahedra tilt angles range from 0–64°.

Publication Date:
Other Number(s):
mp-1222411
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; LiCa2CuN2; Ca-Cu-Li-N
OSTI Identifier:
1655285
DOI:
https://doi.org/10.17188/1655285

Citation Formats

The Materials Project. Materials Data on LiCa2CuN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655285.
The Materials Project. Materials Data on LiCa2CuN2 by Materials Project. United States. doi:https://doi.org/10.17188/1655285
The Materials Project. 2020. "Materials Data on LiCa2CuN2 by Materials Project". United States. doi:https://doi.org/10.17188/1655285. https://www.osti.gov/servlets/purl/1655285. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1655285,
title = {Materials Data on LiCa2CuN2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCa2CuN2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Li1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.89 Å. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of edge and corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.50 Å. Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.86 Å. N3- is bonded to one Li1+, four equivalent Ca2+, and one Cu1+ atom to form a mixture of edge and corner-sharing NLiCa4Cu octahedra. The corner-sharing octahedra tilt angles range from 0–64°.},
doi = {10.17188/1655285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}