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

Crystal structure of Anglesite



Crystal Data:

Crystal System: Orthorhombic - Dipyramidal

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

Cell Data:

Space Group: Pbnm, a = 8.48, b = 5.398, c = 6.958, Z = 4

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Density (calc.) = 6.32 and V = 318.50 Å3

Element color: Pb, S, O
Anglesite sample

Sample no. 5558 from the "Mineralogy and Petrography Museum Grigore Cobălcescu" of "Alexandru Ioan Cuza" University, Iaşi.

Origin: Monte Poni, Sardinia - Italy.

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Raman spectrum and vibrations of Anglesite
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 anglesite (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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Raman spectrum .txt Raman spectrum .spc

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Interpretation of Raman spectrum of Anglesite

The Anglesite spectrum is characterised by the same ν1 band at 978 cm-1. The rest of the vibrational modes have been found at frequencies of 450 cm-1 and 553 cm-1 for ν2; 1058 cm-1 and 1157 cm-1 for ν3; and for ν4 - 611 cm-1 and 646 cm-1. These values are similar to those reported in the literature.

Anglesite Assignments
Buzgar et al., 20091 Beny, 1991
437 ν2 SO4
450 449
611 617 ν4 SO4
646 640
978 977 ν1 SO4
1058 1051 ν3 SO4
1157 1155

The peak corresponding to the symmetric stretching mode (ν1) of the S-O bond in the sulfates appears to be the strongest in the Raman scattering intensity. The wavenumber of a Raman shift is determined by the bond strength and the atomic masses (Fadini and Schnepel, 1989). Therefore, the ν1 wavenumber is a function of S-O stretching force constant in sulfates and increases with an increase in the force constant. The force constant of SO4 tetrahedra were calculated from the bond lengths and the infrared absorption frequencies by Miyake et al. (1978).

Wavenumber of the v1 vibrational Raman mode vs. atomic mass of the cations for barite group

Figure 1. Wavenumber of the ν1 vibrational Raman mode vs. atomic mass of the cations for barite group.

The stretching force constants are: for barite K = 6,27 md/Å; for celestine K = 6.34 md/Å; and for anglesite K = 5.98 md/Å. Therefore, this systematic wavenumber shift is largely due to the increase of mean force constants because of substitution of larger cations in the M sites (Lee et al., 2005). Also, the wavenumber decreases with an increase of the atomic mass of the cations. An example for ν1 mode is presented in figure 1, where the atomic masses are: Sr = 87.62 u; Ba = 137.32 u; Pb = 207.2 u.


• The Mineralogy Database [link]

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

1BUZGAR 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]

• Beny, C. (1991) - Société Française de Minéralogie et de Cristallographie - Base de données de spectres Raman. Anglesite. [link]

• Fadini, A., Schnepel, F. M. (1989) - Vibrational spectroscopy methods and applications. Ellis Horwood Limited.

• Miyake, M., Minato, I., Morikawa, H., Iwai, S. (1978) - Crystal structures and sulphate force constants of barite, celestite and anglesite. American Mineralogist, 63, 506–510. [link]