Phys. Chem. Minerals
33 (2006) 383-393
Y. Noel, M. Catti, Ph. D'Arco and R. Dovesi
The vibrational frequencies of Forsterite Mg
2
SiO
4
;
an all-electron
ab initio
study with the CRYSTAL code.
Vibrations
Animation
Vectors
View
Entire Cell
Few atoms
Cell
Perspective
Along
Polyhedra
None
Transp.
Solid
Atoms size
Tiny
Small
Big
Bond width
Thin
Thick
101.5 (AU)
143.1 (B3U)
182.5 (B3G)
187.8 (AU)
188.1 (AG)
189.9 (B2G)
206.5 (B1U)
206.6 (B2U)
225.1 (B1G)
234.1 (AG)
248.9 (AU)
252.8 (B3G)
260.1 (B1G)
274.9 (B2U)
277.0 (B3U)
277.7 (B1U)
290.5 (B1U)
292.2 (B3U)
293.9 (B2U)
296.2 (AU)
303.3 (B2G)
306.9 (AG)
313.1 (B1U)
317.1 (B1G)
322.2 (B2U)
322.4 (B2G)
323.7 (B3G)
328.6 (AG)
344.5 (AG)
348.0 (AU)
350.3 (B3U)
367.3 (B1G)
373.9 (B3G)
380.5 (B2G)
385.5 (AU)
388.1 (B2U)
391.3 (B1G)
403.4 (B3U)
411.7 (B2U)
419.7 (B1U)
420.9 (B2G)
424.5 (AG)
428.2 (B1U)
431.9 (B3U)
432.0 (AU)
441.7 (B1G)
450.9 (B3G)
465.1 (B3U)
476.0 (B2U)
489.8 (B1U)
492.6 (AU)
513.1 (B2U)
513.6 (B1U)
516.9 (B3U)
521.5 (AU)
534.8 (B3U)
539.7 (B2U)
559.9 (AG)
596.0 (B1G)
608.5 (B3G)
609.2 (B2G)
613.9 (B2U)
618.3 (AG)
637.9 (B3U)
645.0 (B1G)
818.8 (AG)
834.4 (B1G)
834.8 (B3U)
837.6 (B2U)
856.0 (AG)
865.5 (B1G)
869.8 (B3U)
873.7 (B1U)
883.2 (B3G)
913.8 (AU)
927.0 (B2G)
961.9 (B2U)
967.0 (AG)
979.2 (B1G)
982.2 (B2U)
988.6 (B3U)
Mg1
Mg2
Si
O