Symmetry | Frequencies (cm-1) | Without Mg | With Mg |
F2g** | 106 | click | click |
171 | click | click | |
209 | click | click | |
268 | click | click | |
320 | click | click | |
353 | click | click | |
383 | click | click | |
495 | click | click | |
514 | click | click | |
607 | click | click | |
655 | click | click | |
860 | click | click | |
895 | click | click | |
1067 | click | click | |
Eg** | 209 | click | click |
309 | click | click | |
336 | click | click | |
378 | click | click | |
530 | click | click | |
635 | click | click | |
863 | click | click | |
936 | click | click | |
A1g | 356 | click | click |
567 | click | click | |
923 | click | click | |
* All the animations are available in .GIF format |
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** For modes with degenerate movements, just one direction was considered for the animation |
A single cell of pyrope has 80 atoms, so a representative portion of the solid was used instead to understand the associated movement with each wavenumber. This portion consists of a central Al with octahedral geometry surrounded by six SiO4 tetrahedral groups. The Mg atoms were excluded for a better appreciation of the system, but they can be seen clicking the links of the third column. The manipulation of the figures was done using Moldraw, and the animations were obtained using POVRAY and Animation Shop3.