| Material name | Lithium cobaltate | |||||
| Composition | LiCoO2 | |||||
| Chemical formula weight | 97.87 | |||||
| System | Trigonal | |||||
| Temperature (ºC) | 27 | |||||
| a (Å), b (Å), c (Å) | 2.8156(6) | 2.8156(6) | 14.0542(6) | |||
| α (deg), β (deg), γ (deg) | 90 | 90 | 120 | |||
| Unit cell volume (Å3) | 96.49(4) | |||||
| Calculated density (g/㎝3) | 5.05 | |||||
| Z | 3 | |||||
| Space group | R3m (No.166) | |||||
| atom | site | g | x/a | y/b | z/c | B (Å2) |
| Li | 3a | 1 | 0 | 0 | 0 | 0.95(16) |
| Co | 3b | 1 | 0 | 0 | 1/2 | 0.257(6) |
| O | 6c | 1 | 0 | 0 | 0.23968(6) | 0.37(2) |
| Comment | B values were calculated on the basis of Ueq values in the reference. | |||||
Reference: Y. Takahashi, N. Kijima, K. Dokko, M. Nishizawa, I. Uchida, and J. Akimoto, Journal of Solid State Chemistry, 180, 313 (2007).