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

Crystal structure of Chalcocyanite



Crystal Data:

Crystal System: Trigonal - Orthorhombic - Dipyramidal

Point Group: 2/m 2/m 2/m

Cell Data:

Space Group: Pmnb, a = 6.69, b = 8.39, c = 4.82, Z = 4

Using the mouse (click here for more information)

Density (calc.) = 3.92 and V = 270.54 Å3

Element color: Cu, S, O
Chalcocyanite sample

Synthetic sample

Click image to enlarge

Raman spectrum and vibrations of Chalcocyanite
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 chalcocyanite (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)

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ν2 SO4 ν4 SO4 ν1 SO4 ν3 SO4

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Download spectrum:
Raman spectrum .txt Raman spectrum .spc

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Interpretation of Raman spectrum of Chalcocyanite

Raman spectrum of chalcocyanite (CuSO4) shows two strong bands at 1013 cm-1 and 1045 cm-1 which, were ascribed to the ν1 modes of the two sulfate groups (doubly degenerate mode). The bands at 423 cm-1, 448 cm-1, 480 cm-1 and 514 cm-1 have been assigned to ν2 sulfate mode (of two sulfate groups), the bands at 1101 cm-1 and 1205 cm-1 to the ν3 mode and the bands at 622 cm-1 and 670 cm-1 to ν4 mode of SO4. The bands at 250 cm-1, 269 cm-1 and 347 cm-1 have been assigned to the vibrations of Cu-O bonds.


• 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]