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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.

Authors:
Publication Date:
Other Number(s):
mp-1185266
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; LiNi3; Li-Ni
OSTI Identifier:
1732867
DOI:
https://doi.org/10.17188/1732867

Citation Formats

The Materials Project. Materials Data on LiNi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732867.
The Materials Project. Materials Data on LiNi3 by Materials Project. United States. doi:https://doi.org/10.17188/1732867
The Materials Project. 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:Sun May 03 00:00:00 EDT 2020
@article{osti_1732867,
title = {Materials Data on LiNi3 by Materials Project},
author = {The 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}
}