Title: Materials Data on LiNi3 by Materials Project

Abstract

LiNi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Ni atoms to form a mixture of edge, corner, and face-sharing LiNi12 cuboctahedra. There are eight shorter (2.48 Å) and four longer (2.49 Å) Li–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Li atoms to form a mixture of distorted edge and corner-sharing NiLi4 cuboctahedra. In the second Ni site, Ni is bonded in a distorted square co-planar geometry to four equivalent Li atoms.

Publication Date:
Other Number(s):
mp-1185266
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Li-Ni; LiNi3
OSTI Identifier:
1732867
DOI:
https://doi.org/10.17188/1732867

Citation Formats

Materials Data on LiNi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732867.
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Materials Data on LiNi3 by Materials Project. United States. doi:https://doi.org/10.17188/1732867
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2020. "Materials Data on LiNi3 by Materials Project". United States. doi:https://doi.org/10.17188/1732867. https://www.osti.gov/servlets/purl/1732867. Pub date:Sat May 02 20:00:00 EDT 2020
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@article{osti_1732867,
title = {Materials Data on LiNi3 by Materials Project},
abstractNote = {LiNi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Ni atoms to form a mixture of edge, corner, and face-sharing LiNi12 cuboctahedra. There are eight shorter (2.48 Å) and four longer (2.49 Å) Li–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Li atoms to form a mixture of distorted edge and corner-sharing NiLi4 cuboctahedra. In the second Ni site, Ni is bonded in a distorted square co-planar geometry to four equivalent Li atoms.},
doi = {10.17188/1732867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1732867
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