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IR and Raman Activity for the Space Group P21/c (No. 14)

Structure:

14




4.8254 7.8040 7.8968 90 112.268 90
6
Al    1   4e    0.142800 0.201300 0.931100              
Li    1   4e    0.560100 0.465700 0.823600              
D     1   4e    0.190200 0.093300 0.771000              
D     2   4e    0.352600 0.372600 0.976900              
D     3   4e    0.238400 0.084000 0.114100              
D     4   4e    0.802400 0.264400 0.868900              

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IR and Raman Active Modes

IR Active Modes
WPAg Au Bg Bu
4e·3·3

There are a total of 36 Infrared active modes: 17Au + 16Bu   ( Γacoustic = Au + Bu )

Download theoretical IR spectra.

Raman Active Modes
WPAg Au Bg Bu
4e3·3·

There are a total of 36 Raman active modes: 18Ag + 18Bg

Download theoretical Raman spectra.

To find the properties please click here!

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