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Szmikite: Crystal structure | Sample photo | Raman spectrum | Interpretation | References

Crystal structure of Szmikite

Formula:

MnSO4•(H2O)

Crystal Data:

Crystal System: Monoclinic - Prismatic

Point Group: 2/m

Cell Data:

Space Group: A2/a, a = 7.758, b = 7.712,c = 7.126, Z = 4

Using the mouse (click here for more information)

Density (calc.) = 2.93 and V = 383.69 Å3
Element color: Mn, S, O, H
Szmikite sample
Szmikite

Synthetic sample




Click image to enlarge
Raman spectrum and vibrations of Szmikite
Element color: S, O Toggle Grid Toggle Coordinates Reverse Spectrum

Click to in the Raman spectrum. To see the vibrations click on one of them (highlight region) and it (the selected vibration) will appear on the right side of the Raman spectrum.
Below spectra are various settings, and other vibrations of szmikite (which are not present in this spectrum).
You have the possibility to zoom in the spectrum by selecting a spectral region you need to be increased (along axis x); to zoom keep the left mouse-click continously pressed, drag (to left or to right) and release the left button. To return to the initial size spectrum, press the right click on the spectrum -> Zoom -> Reset View.
Model type:
Sticks Ball-and-Sticks (1) Ball-and-Sticks (2) CPK (Spacefill)

Orientation:
Reset view Front view Back view Left view Right view Top view Bottom view 		Background color:
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Spin on Spin off
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SO4 polyhedra on SO4 polyhedra off 		Vibrations:
ν2 SO4 ν4 SO4 ν1 SO4 ν3 SO4

Vibration on Vibration off 		Download spectrum:
Raman spectrum .txt Raman spectrum .spc


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Interpretation of Raman spectrum of Szmikite

The intense ν1 symmetric stretching mode of the SO4 from szmikite was found at 1021 cm-1. For ν2 symmetric bending mode, the bands were found at 425 cm-1 and 493 cm-1. The bands at 1089 cm-1 and 1189 cm-1 have been interpreted to represent the ν3 asymmetric stretching mode, and the bands at 623 cm-1 and 654 cm-1 have been interpreted to represent the ν4 asymmetric bending mode. The translational motions between the metal cation and the water molecule were observed in the Raman spectrum at the wavenumber value 263 cm-1.

References

• The Mineralogy Database [link]

• Crystal data (.cif file) from the American Mineralogist Crystal Structure Database [link]

• BUZGAR N., BUZATU A., SANISLAV I. V. (2009) - The Raman study on certain sulfates. Analele Stiintifice ale Universitatii “Al. I. Cuza” - Iasi, Tome 55, issue 1, 5-23 [link]