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

Crystal structure of Diopside

Formula:

CaMgSi2O6

Crystal Data:

Crystal System: Monoclinic - Prismatic

Point Group: 2/m

Cell Data:

Space Group: C 2/c, a = 9.761, b = 8.926, c = 5.258, Z = 4

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Density (calc.) = 3.26 and V = 440.80 Å3

Element color: Ca, Mg, Si, O
Diopside samples (no. 5790 and 5791)
Diopside (no. 5790) Diopside (no. 5791)

Sample no. 5790 and 5791 from the "Mineralogy and Petrography Museum Grigore Cobălcescu" of "Alexandru Ioan Cuza" University, Iaşi.

Origin (no. 5790): Zillerthel, Tirol, Austria.

Origin (no. 5791): Zermatt, Switzerland.



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Raman spectrum of Diopside (no. 5790)

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Download spectrum:


Raman spectrum .txt

Raman spectrum .spc

Raman spectrum of Diopside (no. 5791)

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Download spectrum:


Raman spectrum .txt

Raman spectrum .spc

Interpretation of Raman spectrum of Diopside

For clinopyroxenes, the group theory predicts 30 Raman modes: 14Ag + 16Bg (Rustein and White, 1971).

The spectra of diopside and hedenbergite (see reference paper1 or above spectrum for diopside) are also characterized by two intense bands, corresponding to the Si-Onbr stretching mode (1010 cm-1 in diopside and 1012 cm-1 in hedenbergite) and to the stretching of Si-Obr bonds (665 cm-1 in diopside and 663 cm-1 in hedenbergite). In the 500-560 cm-1 region, bands assigned to the O-Si-O bending modes were observed, and in the lower region, bands attributed to the cation-oxygen vibrations (see below table).


Diopside Hedenbergite Aassignments
Buzatu and Buzgar (2010)1 Huang et al. (2000) Buzatu and Buzgar (2010)1 Huang et al. (2000)
Sample: 5790 5791 5792 5799
230
248
296
323
358
389

229
247

323
359
389

230
255

325
359
392


245

315
346
381

231


315
346
381

233


307
338
375
404
M-O stretch/bend
507
531
558

527
560
509
529
558

522
555
499
524
553
495
522
549
O-Si-O bend
665

666

665

663
758
663

660
750
Si-Obr stretch
853


1010
1045
852

907
1010
1045
854


1011
1047
853
890
908
1010
1036
852

894
1012

853

907
1012
1031
Si-Onbr stretch

Huang et al. (2000) showed that with a constant Ca content most Raman bands in diopside-hedenbergite series should decrease with an increase of the Fe concentration. In all spectra from the present study, this observation is available only for the bands located in the 200-800 cm-1 region and for the peak from ~1040 cm-1; the ~850 cm-1 band preserves the same position, and the band at ~1010 cm-1 is slightly higher in hedenbergite (1010 cm-1 in diopside samples and 1012 cm-1 in hedenbergite sample 5799). The Raman spectra of diopside are similar to those reported in the literature (Etchepare, 1971; Swamy et al., 1997; Huang et al., 2000). The spectra of hedenbergite are different from those reported by Huang et al. (2000) (see above table), especially for the low region attributed to the cation-oxygen vibration modes. These differences are probably caused by a higher content of Mg in M1 sites in our studied samples.

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]

• Huang, E., Chen, C.H., Huang, T., Lin, E.H., Xu, J., (2000) - Raman spectroscopic characteristics of Mg-Fe-Ca pyroxenes. American Mineralogist, 85, 473–479.

• Rutstein, M.S., White, W.B., (1971) - Vibrational spectra of high-calcium pyroxenes and pyroxenoids. American Mineralogist, 56, 877–887.

• Etchepare, J., (1971) - Study by Raman spectroscopy of crystalline and glassy diopside. In: Douglas, R.W., Ellis, B. (Eds.), Amorphous materials. Wiley Interscience, London, 337–346.

• Swamy, V., Dubrovinsky, L.S., Matsui, M., (1997) - High-temperature Raman spectroscopy and quasi-harmonic lattice dynamic simulation of diopside. Phys. Chem. Minerals, 24, 440–446.