J. Phys. Chem. B.; 2005; 110; 692-710
Orlando, R.; Torres, F. J.; Pascale, F.; Ugliengo, P.; Zicovich-Wilson, C.; Dovesi, R.
Vibrational Spectrum of Katoite Ca
3
Al
2
([OH]
4
)
3
:
A Periodic ab Initio Study.
Vibrations
Animation
Vectors
View
Entire Cell
Few atoms
Cell
Perspective
Along
Polyhedra
None
Transp.
Solid
Show Hydrogen
Atoms size
Tiny
Small
Big
Bond width
Thin
Thick
60.5 (F2U)
60.5 (F2U)
60.5 (F2U)
67.0 (F1U)
67.0 (F1U)
67.0 (F1U)
67.3 (BU)
87.8 (F1G)
87.8 (F1G)
87.8 (F1G)
109.1 (BG)
113.8 (F1U)
113.8 (F1U)
113.8 (F1U)
114.1 (EG)
114.1 (EG)
116.3 (EU)
116.3 (EU)
128.6 (F1G)
128.6 (F1G)
128.6 (F1G)
150.9 (F2G)
150.9 (F2G)
150.9 (F2G)
155.6 (F2U)
155.6 (F2U)
155.6 (F2U)
157.7 (BU)
163.4 (F2G)
163.4 (F2G)
163.4 (F2G)
164.0 (F1G)
164.0 (F1G)
164.0 (F1G)
164.0 (F1U)
164.0 (F1U)
164.0 (F1U)
164.2 (EU)
164.2 (EU)
166.4 (EG)
166.4 (EG)
179.2 (F2G)
179.2 (F2G)
179.2 (F2G)
184.8 (F2U)
184.8 (F2U)
184.8 (F2U)
187.0 (F1G)
187.0 (F1G)
187.0 (F1G)
193.9 (F1G)
193.9 (F1G)
193.9 (F1G)
195.5 (EU)
195.5 (EU)
200.2 (F1U)
200.2 (F1U)
200.2 (F1U)
200.3 (BG)
208.6 (F2U)
208.6 (F2U)
208.6 (F2U)
212.1 (F2U)
212.1 (F2U)
212.1 (F2U)
218.1 (F1U)
218.1 (F1U)
218.1 (F1U)
218.5 (BU)
221.4 (F1G)
221.4 (F1G)
221.4 (F1G)
227.6 (F2G)
227.6 (F2G)
227.6 (F2G)
232.2 (EU)
232.2 (EU)
232.6 (AU)
232.9 (F2U)
232.9 (F2U)
232.9 (F2U)
237.9 (F1U)
237.9 (F1U)
237.9 (F1U)
244.0 (F1U)
244.0 (F1U)
244.0 (F1U)
244.1 (AG)
246.7 (F2G)
246.7 (F2G)
246.7 (F2G)
247.6 (F1G)
247.6 (F1G)
247.6 (F1G)
250.4 (EG)
250.4 (EG)
259.4 (F2U)
259.4 (F2U)
259.4 (F2U)
269.2 (F1U)
269.2 (F1U)
269.2 (F1U)
276.7 (F2G)
276.7 (F2G)
276.7 (F2G)
280.8 (BG)
281.5 (F1U)
281.5 (F1U)
281.5 (F1U)
299.0 (BU)
299.6 (EG)
299.6 (EG)
300.8 (AU)
301.2 (F1G)
301.2 (F1G)
301.2 (F1G)
308.7 (F2U)
308.7 (F2U)
308.7 (F2U)
311.5 (EU)
311.5 (EU)
322.6 (F1U)
322.6 (F1U)
322.6 (F1U)
328.4 (F2U)
328.4 (F2U)
328.4 (F2U)
332.8 (EG)
332.8 (EG)
333.4 (F1G)
333.4 (F1G)
333.4 (F1G)
347.5 (F1G)
347.5 (F1G)
347.5 (F1G)
350.2 (EU)
350.2 (EU)
356.8 (F2G)
356.8 (F2G)
356.8 (F2G)
367.2 (F1G)
367.2 (F1G)
367.2 (F1G)
371.7 (AG)
373.5 (F2G)
373.5 (F2G)
373.5 (F2G)
382.9 (BG)
387.9 (EU)
387.9 (EU)
388.3 (F1U)
388.3 (F1U)
388.3 (F1U)
396.5 (F2G)
396.5 (F2G)
396.5 (F2G)
399.7 (F2U)
399.7 (F2U)
399.7 (F2U)
407.0 (F1U)
407.0 (F1U)
407.0 (F1U)
409.4 (F2G)
409.4 (F2G)
409.4 (F2G)
413.0 (EG)
413.0 (EG)
416.7 (F2G)
416.7 (F2G)
416.7 (F2G)
419.6 (F1G)
419.6 (F1G)
419.6 (F1G)
420.8 (EG)
420.8 (EG)
422.3 (BU)
431.5 (F2U)
431.5 (F2U)
431.5 (F2U)
440.3 (F1U)
440.3 (F1U)
440.3 (F1U)
447.2 (EU)
447.2 (EU)
451.2 (EG)
451.2 (EG)
454.1 (F1G)
454.1 (F1G)
454.1 (F1G)
459.0 (F2U)
459.0 (F2U)
459.0 (F2U)
469.4 (AU)
487.9 (F1U)
487.9 (F1U)
487.9 (F1U)
503.6 (F2U)
503.6 (F2U)
503.6 (F2U)
503.8 (AG)
518.8 (EU)
518.8 (EU)
519.3 (F1U)
519.3 (F1U)
519.3 (F1U)
530.6 (F1G)
530.6 (F1G)
530.6 (F1G)
531.3 (F2U)
531.3 (F2U)
531.3 (F2U)
540.8 (F2G)
540.8 (F2G)
540.8 (F2G)
542.4 (BG)
544.2 (F1U)
544.2 (F1U)
544.2 (F1U)
544.3 (BU)
546.2 (F2U)
546.2 (F2U)
546.2 (F2U)
547.8 (EU)
547.8 (EU)
559.4 (AG)
583.4 (AU)
652.4 (F1G)
652.4 (F1G)
652.4 (F1G)
654.6 (F2U)
654.6 (F2U)
654.6 (F2U)
656.7 (EU)
656.7 (EU)
698.2 (EG)
698.2 (EG)
756.8 (AU)
757.0 (F2G)
757.0 (F2G)
757.0 (F2G)
766.5 (F1U)
766.5 (F1U)
766.5 (F1U)
768.7 (F2U)
768.7 (F2U)
768.7 (F2U)
782.1 (F2G)
782.1 (F2G)
782.1 (F2G)
798.1 (F2G)
798.1 (F2G)
798.1 (F2G)
808.7 (F1G)
808.7 (F1G)
808.7 (F1G)
816.6 (F2U)
816.6 (F2U)
816.6 (F2U)
820.6 (F1U)
820.6 (F1U)
820.6 (F1U)
838.2 (F2G)
838.2 (F2G)
838.2 (F2G)
868.4 (EG)
868.4 (EG)
868.4 (F1G)
868.4 (F1G)
868.4 (F1G)
868.9 (F2U)
868.9 (F2U)
868.9 (F2U)
886.8 (F1U)
886.8 (F1U)
886.8 (F1U)
907.1 (EU)
907.1 (EU)
936.9 (F1G)
936.9 (F1G)
936.9 (F1G)
940.0 (BU)
954.4 (AU)
955.8 (F2G)
955.8 (F2G)
955.8 (F2G)
956.7 (AG)
957.3 (F1U)
957.3 (F1U)
957.3 (F1U)
958.3 (EG)
958.3 (EG)
965.9 (BG)
968.5 (F2U)
968.5 (F2U)
968.5 (F2U)
993.8 (EU)
993.8 (EU)
3841.9 (BU)
3842.7 (F2U)
3842.7 (F2U)
3842.7 (F2U)
3842.9 (F1G)
3842.9 (F1G)
3842.9 (F1G)
3843.6 (F1U)
3843.6 (F1U)
3843.6 (F1U)
3844.1 (F1G)
3844.1 (F1G)
3844.1 (F1G)
3844.2 (EG)
3844.2 (EG)
3846.7 (F2G)
3846.7 (F2G)
3846.7 (F2G)
3847.0 (F1U)
3847.0 (F1U)
3847.0 (F1U)
3848.4 (EU)
3848.4 (EU)
3850.7 (F1G)
3850.7 (F1G)
3850.7 (F1G)
3851.2 (F2U)
3851.2 (F2U)
3851.2 (F2U)
3851.4 (F2G)
3851.4 (F2G)
3851.4 (F2G)
3851.6 (F2U)
3851.6 (F2U)
3851.6 (F2U)
3851.9 (AG)
3854.8 (BG)
3856.8 (EU)
3856.8 (EU)
3858.0 (F1U)
3858.0 (F1U)
3858.0 (F1U)
3860.1 (EG)
3860.1 (EG)
3860.7 (F2G)
3860.7 (F2G)
3860.7 (F2G)
3861.9 (AU)
Ca
Al
O
H