Table 6. Distances (Å) between split positions for the average structures and the total modulated displacements (Å) for the modulated structures of
.
| Average structure | Modulated structure | ||||
|---|---|---|---|---|---|
| Atom | Mumme et al. (1995 ▸) | clinker_0 | clinker_2.5 | clinker_0 | clinker_2.5 |
| Ca1 | 0.34770 | 0.404 (1) | 0.320 (1) | ||
| Ca2 | 0.24394 | 0.396 (1) | 0.324 (1) | ||
| Si1 | 0.272 (1) | 0.278 (1) | |||
| O1 | 0.58797† | 0.696 (12)† | 0.670 (11)† | 0.938 (1) | 0.81 (1) |
| O2 | 0.63470 | 0.684 (6) | 0.22 (5) | 0.665 (1) | 0.617 (1) |
| O3 | 0.76495 | 0.790 (5) | 0.754 (10) | 0.797 (1) | 0.723 (1) |
These values correspond to the O1—O1_2 distance.