Fig. : Deconvolution of baryte RRUFF R040036 ATR spectrum. We use q-BWF functions (in red). The lower part of the images is showing the misfit, that is the difference between data (green) and the sum of components (yellow curve). Note that the position of the center of a q-BWF function, the white dot, is different from the position of the peak. Results -In the NIST Chemistry WebBook, we can find the barite infrared spectrum. We can use the transmittance /absorbance, to determine the peaks. The peaks are at (cm -1 ): 615, 654, 987, 1077, 1128 and 1192. From the figures given above, we find (position of the peaks of the components, in cm -1 ):