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}
}
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