skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiCo3NiO8 by Materials Project

Abstract

LiCo3NiO8 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share corners with six equivalent NiO6 octahedra and edges with six equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Li–O bond lengths are 2.18 Å. Co+3.67+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with two equivalent LiO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent CoO6 octahedra. There is four shorter (1.88 Å) and two longer (1.89 Å) Co–O bond length. Ni4+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent LiO6 octahedra and edges with six equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Ni–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a see-saw-like geometry to one Li1+, two equivalent Co+3.67+, and one Ni4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Co+3.67+ atoms.

Publication Date:
Other Number(s):
mp-779166
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; LiCo3NiO8; Co-Li-Ni-O
OSTI Identifier:
1306062
DOI:
10.17188/1306062

Citation Formats

The Materials Project. Materials Data on LiCo3NiO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1306062.
The Materials Project. Materials Data on LiCo3NiO8 by Materials Project. United States. doi:10.17188/1306062.
The Materials Project. 2020. "Materials Data on LiCo3NiO8 by Materials Project". United States. doi:10.17188/1306062. https://www.osti.gov/servlets/purl/1306062. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1306062,
title = {Materials Data on LiCo3NiO8 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCo3NiO8 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share corners with six equivalent NiO6 octahedra and edges with six equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Li–O bond lengths are 2.18 Å. Co+3.67+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with two equivalent LiO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent CoO6 octahedra. There is four shorter (1.88 Å) and two longer (1.89 Å) Co–O bond length. Ni4+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent LiO6 octahedra and edges with six equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Ni–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a see-saw-like geometry to one Li1+, two equivalent Co+3.67+, and one Ni4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Co+3.67+ atoms.},
doi = {10.17188/1306062},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

Dataset:

Save / Share: