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

Crystal structure of Aurichalcite

Formula:

(Zn,Cu)5(CO3)2(OH)6

Crystal Data:

Crystal System: Monoclinic - Prismatic

Point Group: 2/m

Cell Data:

Space Group: P21/m, a = 13.82, b = 6.419, c = 5.29, Z = 2

Using the mouse (click here for more information)

Density (calc.) = 3.94 and V = 460.59 Å3
Element color: Zn, C, O, OH
Aurichalcite sample
Aurichalcite

Sample no. 5457 from the "Mineralogy and Petrography Museum Grigore Cobălcescu" of "Alexandru Ioan Cuza" University, Iaşi.

Origin: Lavrio - Greece.




Click image to enlarge
Raman spectrum and vibrations of Aurichalcite
Element color: C, 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 aurichalcite (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:
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CO3 polyhedra on CO3 polyhedra off 		Vibrations:
706 cm-1 - ν4a (E') 733 cm-1 - ν4b (E') 1000 cm-1 - ν1 (A'1) 1069 cm-1 - ν1 (A'1) 1485 cm-1 - ν3a (E') 1507 cm-1 - ν3b (E')

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


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Interpretation of Raman spectrum of Aurichalcite

The Raman spectrum of aurichalcite is different from those of malachite and azurite. This spectrum has a characteristic intense band at 1069 cm-1 which is assigned to the ν1 symmetric stretching mode of the carbonate unit.

The two low intensity Raman lines of 1485 and 1507 cm-1 may be ascribed to the ν3 asymmetric stretching modes. To the ν4 mode (doubly degenerate symmetric bending) are attributed the values of 706 cm-1 (ν4a) and 733 cm-1 (ν4b). A number of bands with different intensities are observed in the lowest spectral shift of the aurichalcite Raman spectrum (285, 388, 430, 461 and 498 cm-1). These Raman lines are assigned to the CuO and ZnO stretching and bending vibrations (Frost et al., 2007). A single band of the OH-stretching modes is observed at 3344 cm-1.


Buzgar et al., 20091 Frost et al., 2007 Assignment
285, 388, 430,
461, 498		 278-283, 388-392,
428-432, 460-463,
498-499		 T(Cu,CO3) and
T(Zn,CO3)
706
733		 708-711
733-737
748-753		 ν4 symmetric CO3 deformation
NO 849-860 ν2 asymmetric CO3 deformation
1000
1069		 1020
1060-1065
1071-1072		 ν1 symmetric CO3 stretching
1485
1507		 1485
1506-1511		 ν3 asymmetric CO3 stretching
3344 3338-3355 O-H stretching mode
NO = not observed
References

• The Mineralogy Database [link]

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

• 1BUZGAR N., APOPEI A. I. (2009) - The Raman study on certain carbonates. Analele Stiintifice ale Universitatii “Al. I. Cuza” - Iasi, Tome 55, issue 2, 97-112 [link]

• FROST R. L., HALES M. C., REDDY B. J. (2007) - Aurichalcite – A SEM and Raman spectroscopic study. Polyhedron, 26, p. 3291-3300 [link]