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Lithium Cobalt Oxide

Catalog Number
ACM12190793-2
CAS Number
12190-79-3
Product Name
Lithium Cobalt Oxide
Structure
Category
Battery Materials
Description
Lithium cobalt oxide (LiCoO 2) is a chemical compound commonly used in the positive electrodes of lithium-ion batteries. The structure of LiCoO 2 has been studied with numerous techniques including x-ray diffraction, electron microscopy, neutron powder diffraction, and EXAFS: it consists of layers of lithium that lie between slabs of octahedra formed by cobalt and oxygen atoms. The space group is R3¯m in Hermann-Mauguin notation, signifying a rhombus-like unit cell with threefold improper rotational symmetry and a mirror plane. More simply, however, both lithium and cobalt are octahedrally coordinated by oxygen. These octahedra are edge-sharing, and tilted relative to the layered structure. The threefold rotational axis (which is normal to the layers) is termed improper because the triangles of oxygen (being on opposite sides of each octahedron) are anti-aligned.
IUPAC Name
lithium;oxido(oxo)cobalt
Molecular Weight
97.9g/mol
Molecular Formula
CoLiO2
Canonical SMILES
[Li+].[O-][Co]=O
InChI
InChI=1S/Co.Li.2O/q;+1;;-1
InChI Key
BFZPBUKRYWOWDV-UHFFFAOYSA-N
Melting Point
> 1000ºC
Appearance
White Plastic Prismatic cases with ribs, hermetically sealed and fitted with a metallic terminals/connections
Complexity
13.5
Covalently-Bonded Unit Count
2
EC Number
235-362-0
Exact Mass
97.939026g/mol
Formal Charge
0
Heavy Atom Count
4
Log P
-0.23760
MDL Number
MFCD00049786
MeSH Entry Terms
Li(x)CoO2;lithium cobalt oxide
Monoisotopic Mass
97.939026g/mol
Rotatable Bond Count
0
WGK Germany
3
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