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

Crystal structure of Pargasite

Formula:

NaCa2(Mg,Fe++)4Al(Si6Al2)O22(OH)2

Crystal Data:

Crystal System: Monoclinic - Prismatic

Point Group: 2/m

Cell Data:

Space Group: C 2/m, a = 9.87, b = 18.006, c = 5.3, Z = 2

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Density (calc.) = 3.17 and V = 908.70 Å3

Element color: Ca, Mg, Fe, Si, O, H
Pargasite sample (no. 5851 and 3985)
Pargasite Pargasite

Sample no. 5851 and 3985 from the "Mineralogy and Petrography Museum Grigore Cobălcescu" of "Alexandru Ioan Cuza" University, Iaşi.

Origin (no. 5851): Edenville, New York, USA.

Origin (no. 3985): Czech Republic.



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Raman spectrum of Pargasite (no. 5851)

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Download spectrum:


Raman spectrum .txt

Raman spectrum .spc

Raman spectrum of Pargasite (no. 3985)

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Download Raman spectrum of pargasite (black): .txt or .spc

Legend: pargasite (3-2)_____ and pargasite (3-2)_____

Download Raman spectrum of pargasite (red): .txt or .spc

Interpretation of Raman spectrum of Pargasite

A comparison between the Raman spectra of the pargasite samples (3-1, 3-2 and 3-2) and one reference sample of pargasite from the RRUFF project (R060632) is illustrated in figure 8 (see reference paper1). As has been discussed in the Analytical procedure section, some spectra are raw for a better interpretation, and these particular spectra are some of them. Also, the Raman spectra of these samples were very difficult to obtain. The below table summarizes the entire discussion about the assignments of the peaks.


Apopei and Buzgar (2010)1 Huang (2003) Downs (2006) Tentative assignment
Sample: 5851 (3-1) 3985 (3-2) 3985 (3-2) #Mg 38.5 R060632
226, 292 226 226,
286
200, 271 229, 276 lattice mode
322
371
415
327
358
415
326
362
414,
423
-
364
420
324
385
430
M-O, where M = Ca and Mg
475, 514,
536, 547,
581
474,
510,
540,
581
475,
510,
532,
566
549 519, 548 deformation modes of Si4O11
663 667 663 669 665 νs of the Si-Ob-Si (ν1)
758 766 762 719, 722 750 ? νs of the Si-Ob-Si
885, 910,
924
889,
903,
914,
928
888 920 907 νs of the O-Si-O
956, 971 971 968 995 - νas of the O-Si-O
1009,
1045,
1095
1013,
1041
1009 1020,
1094
1017 νas of the Si-Ob-Si
2327 2330 2330 - - νH3O+
? - questionable interpretation; νs - symmetric stretching; νas - asymmetric stretching; Mg# = (Mg/Mg+Fe2+).

The νs1) of the Si-Ob-Si lies at 663, 667, 663 and 665 cm-1 (for 3-1; 3-2; 3-2 and R060632, respectively). In our spectra, a very broad band exhibits at 758-766 cm-1, while in the case of R060632 two bands appear at 750 and 801 cm-1. If we look carefully at the highest peak (assigned to ν1), on the right it exhibits a one shoulder band (around 692-695 cm-1), which appears in all spectra of pargasite and may be due to 2Al in the T site. The high intensity of the band at ~760 cm-1 can also be explained by 2Al in the T site or the orientation of the laser beam on the pargasite samples.

The interpretation of the spectra in the 850-1200 cm-1 is generally based on the bands dominantly arising from the vibrations of symmetric stretching and asymmetric stretching (Si4O11), as follows: the bands between 885 and 928 cm-1 may be ascribed to the symmetric stretching (νs) of the O-Si-O linkage; the peaks observed in the 950-1000 cm-1 region are attributed to the asymmetric stretching (νas) of the O-Si-O linkage. The highest-frequency bands, observed in 1000-1100 cm-1 spectral region, may be ascribed to the asymmetric stretching vibration of the Si-Ob-Si bridges.

All three spectra of pargasite samples (3-1 and 3-2; 3-2) present one peak at ~2330 cm-1, which may be assigned to H3O+ vibrations; the appearance of this band is due to the substitution of K or Na with H3O+ (K, Na - H3O+).

References

• The Mineralogy Database [link]

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

1APOPEI A. I., BUZGAR N. (2010) - The Raman study of amphiboles. Anal. Şt. Univ. “Al. I. Cuza” Iaşi, Geologie, LVI/1 [link]

• Pargasite spectrum from the RRUFF project [link]

• Downs, R. T. 2006. The RRUFF Project: an integrated study of the chemistry, crystallography, Raman and infrared spectroscopy of minerals. Program and Abstracts of the 19th General Meeting of the International Mineralogical Association in Kobe, Japan. O03-13.

• Huang, E. (2003) - Raman Spectroscopic Study of Amphiboles. PhD thesis in Chinese.