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

Crystal structure of Aegirine

Formula:

NaFe3+Si2O6

Crystal Data:

Crystal System: Monoclinic - Prismatic

Point Group: 2/m

Cell Data:

Space Group: C 2/c, a = 9.65, b = 8.79, c = 5.29, Z = 4

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Density (calc.) = 3.59 and V = 427.95 Å3

Element color: Na, Fe, Si, O
Aegirine samples (no. 5805 and 5820)
Aegirine (no. 5805) Aegirine (no. 5820)

Sample no. 5805 and 5820 from the "Mineralogy and Petrography Museum Grigore Cobălcescu" of "Alexandru Ioan Cuza" University, Iaşi.

Origin (no. 5805): Brewig, Norway.

Origin (no. 5820): Kangerdlnarsuk, Greenland.



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Raman spectrum of Aegirine (no. 5805)

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Download spectrum:


Raman spectrum .txt

Raman spectrum .spc

Raman spectrum of Aegirine (no. 5820)

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Download spectrum:


Raman spectrum .txt

Raman spectrum .spc

Interpretation of Raman spectrum of Aegirine

The Raman spectra of aegirine (see above spectrum) are characterized by lower frequencies of the bands, compared with the rest of the clinopyroxenes. In the stretching region of Si-Onbr, bands were observed at 866 cm-1, 952 cm-1, 971 cm-1, 1041 cm-1 and 1132 cm-1 in the 5805 sample; and 866 cm-1, 953 cm-1, 1044 cm-1 and 1130 cm-1 in the 5820 sample. The stretching modes of Si-Obr are observed at 544 cm-1, 678 cm-1, ~757 cm-1 and a weak shoulder at 558 cm-1 in the 5805 sample. The bending modes of Si-O are located at ~466 cm-1 and ~497 cm-1. Below 400 cm-1, the bands are assigned to the vibrations of M-O bonds (see below table).


In the spectrum of the 5805 sample (see above spectrum), the higher intensity bands corresponding to the Si-O stretch are present as doublets. In the case of orthopyroxenes, these splits of the bands were attributed to the vibrations of two different tetrahedra. In aegirine, this is probably caused by the substitution of Na+ with Ca2+ in the M2 sites, and implicitly, Fe3+ with Fe2+ in M1 sites. These subtitutions lead to the distortion of the tetrahedra chain, creating two types of Si tetrahedra. In the previous literature, no discussion on the Raman spectrum of aegirine was reported. A study on Li-aegirine (LiFeSi2O6) was made by Pommier et al. (2005) in order to follow the phase transition under pressure from the C2/c to P21/c structure.

Aegirine Assignments
Buzatu and Buzgar (2010)1
sample 5820
Buzatu and Buzgar (2010)1
sample 5805
Downs (2006)
(R040054)
273
294
309
342

385
267
295

343

385
271

307
341
363
384
M-O stretch/bend
465
499
466
496
465
496
O-Si-O bend
544

678
758
544
558
678
757
545
562
676
755
Si-Obr stretch
866
953

1044
1130
866
952
971

1041
1132
865
953
970

1042
1132
Si-Onbr stretch

References

• The Mineralogy Database [link]

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

1BUZATU A., BUZGAR N. (2010) - The Raman study of single-chain silicates. Anal. Şt. Univ. “Al. I. Cuza” Iaşi, Geologie, LVI/1. [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. (www.rruff.info).

• Pommier, C.J.S., Downs, R.T., Stimpfl, M., Redhammer, G.J., Denton, M.B., (2005) - Raman and X-ray investigations of LiFeSi2O6 pyroxene under pressure. Journal of Raman Spectroscopy, 36, 864–871.