Table 1. Unit-cell lattice parameters determined by automatic mode for the diffraction pattern under the conditions discussed in Fig. 5 ▶ .
The values for and were held constant at 90 for all cases and are thus not listed. With the space group correctly identified, the deviation of unit-cell length c from its actual value changes from over 6 to less than 0.1. Values in italics indicate the difference from the value reported by Loo et al. (2010 ▶).
| Unit cell | a () | b () | c () | () |
|---|---|---|---|---|
| Loo et al. (2010 ▶) | 12.9665 | 8.5663 | 14.3105 | 90.2706 |
| (a) Orthorhombic | 12.9273 | 8.5019 | 7.4413 | 90 |
| difference | 0.0392 | 0.0644 | 6.8692 | 0.2706 |
| (b) Monoclinic | 12.8449 | 8.4915 | 7.4339 | 90.0216 |
| difference | 0.1216 | 0.0748 | 6.8766 | 0.2490 |
| (c) P21/c | 12.9092 | 8.5252 | 14.3963 | 90.4946 |
| difference | 0.0573 | 0.0411 | 0.0858 | 0.2240 |