Table 2. Bond-valence parameters derived from the present model and the previous studies.
| Atom | Site | Present work | Dominko et al. 1) | Arroyo-de Dompablo et al. 2) |
|---|---|---|---|---|
| Li | 4b | 1.02 (6) | 1.0 (1) | 0.9 |
| Mn | 2a | 1.89 (5) | 2.1 (1) | 1.77 |
| Si | 2a | 3.89 (7) | 3.6 (2) | 3.65 |
| O1 | 2a | 2.02 (9) | 1.9 (3) | 1.75 |
| O2 | 4b | 1.97 (7) | 1.9 (2) | 1.86 |
| O3 | 2a | 1.87 (7) | 2.0 (2) | 1.90 |
1) The data, referred to Dominko et al. (2006 ▶), are based on the coordinates for primary MO4 (M = Li, Mn, Si) tetrahedra. 2) The data, referred to Arroyo-de Dompablo et al. (2008 ▶), are based on the coordinates for primary MO4 (M = Li, Mn, Si) tetrahedra optimized by density functional theory (DFT) methods.