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

Title: Materials Data on Li2CrCo3O8 by Materials Project

Abstract

Li2CrCo3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent CrO6 octahedra and corners with nine equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 58–64°. There is three shorter (1.95 Å) and one longer (1.99 Å) Li–O bond length. Cr6+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Cr–O bond lengths are 2.00 Å. Co+2.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent CrO6 octahedra, and edges with four equivalent CoO6 octahedra. There is four shorter (1.89 Å) and two longer (1.93 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, one Cr6+, and two equivalent Co+2.67+ atoms to form a mixture of distorted corner and edge-sharing OLiCrCo2 trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Co+2.67+ atoms to form a mixturemore » of distorted corner and edge-sharing OLiCo3 trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-761748
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; Li2CrCo3O8; Co-Cr-Li-O
OSTI Identifier:
1292255
DOI:
10.17188/1292255

Citation Formats

The Materials Project. Materials Data on Li2CrCo3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1292255.
The Materials Project. Materials Data on Li2CrCo3O8 by Materials Project. United States. doi:10.17188/1292255.
The Materials Project. 2020. "Materials Data on Li2CrCo3O8 by Materials Project". United States. doi:10.17188/1292255. https://www.osti.gov/servlets/purl/1292255. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1292255,
title = {Materials Data on Li2CrCo3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2CrCo3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent CrO6 octahedra and corners with nine equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 58–64°. There is three shorter (1.95 Å) and one longer (1.99 Å) Li–O bond length. Cr6+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Cr–O bond lengths are 2.00 Å. Co+2.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent CrO6 octahedra, and edges with four equivalent CoO6 octahedra. There is four shorter (1.89 Å) and two longer (1.93 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, one Cr6+, and two equivalent Co+2.67+ atoms to form a mixture of distorted corner and edge-sharing OLiCrCo2 trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Co+2.67+ atoms to form a mixture of distorted corner and edge-sharing OLiCo3 trigonal pyramids.},
doi = {10.17188/1292255},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

Dataset:

Save / Share: