Skip to main content Accessibility help
×
Home

XRD diffraction data and Rietveld refinement of Na8[Si6Al6O24]Cl2

  • Guilherme Oliveira Siqueira (a1), Érica Gonçalves Gravina (a1), Jackson Antônio Lamounier Camargos Resende (a1) and Nelson Gonçalves Fernandes (a1)

Abstract

A natural sodalite from the geological site Alkaline Complex of Floresta Azul, Bahia, Brazil, has been characterized by electron microprobe, infrared spectroscopy, and powder high-resolution X-ray diffraction techniques. The mineral is an aluminosilicate framework, formed by cages called sodalite unity. Although the sample is natural, the chemical analysis reveals that it is indeed the end member sodalite sensu strictu, Na8[Si6Al6O24]Cl2. Infrared spectroscopy shows Si, Al tetrahedral-oxygen stretching nonsymmetric mode, stretching symmetric mode, and bending modes. Indexing of the experimental X-ray diffraction pattern led to cubic space group P-43n, and unit-cell parameters: a=8.8767(7) Å, Dx=2.301 g cm−3, and V=699.46(1) Å3. X-ray diffraction data are reported. Rietveld refinement was also performed, and the confidence factors are Rp=0.079, Rwp=0.118, and χ2=2.19. The structure of the minerals of sodalite group holds four different tetrahedra: AlO4, ClNa4, Na(ClO3), and SiO4, with Al, Cl, Na, and Si located at the center of each tetrahedron.

Copyright

Corresponding author

a)Author to whom correspondence should be addressed. Electronic mail: ngfernandes@qui.ufmg.br

References

Hide All
Creighton, J. A., Deckman, H. W., and Newsam, J. M. (1994). “Computer simulation and interpretation of the infrared and Raman spectra of sodalite frameworks,” J. Phys. Chem.JPCHAX10.1021/j100053a018 98, 448459.
Farrugia, L. J. (1997). “ORTEP-3 for Windows—a version of ORTEP III with a graphical user interface (GUI),” J. Appl. Crystallogr.JACGAR10.1107/S0021889897003117 30, 565.
Hassan, I., Peterson, R. C., and Grundy, H. D. (1985). “The structure of lazurite, ideally Na6Ca2(Al6Si6O24)S2, a member of the sodalite group,” Acta Crystallogr., Sect. C: Cryst. Struct. Commun.ACSCEE10.1107/S0108270185005662 C41, 827832.
Hassan, I. and Grundy, H. (1984). “The crystal structures of sodalite-group minerals,” Acta Crystallogr., Sect. B: Struct. Sci.ASBSDK10.1107/S0108768184001683 40, 613.
Henderson, C. M. B. and Taylor, D. (1977). “Infrared spectra of anhydrous members of the sodalite family,” Spectrochim. Acta, Part ASAMCAS 33A, 283290.
Hirshfeld, F. L. (1976). “Can X-ray data distinguish bonding effects from vibrational smearing?Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr.ACACBN10.1107/S0567739476000533 32, 239244.
Larson, A. C. and Von Dreele, R. B. (2000). “General structure analysis system (GSAS),” Los Alamos National Laboratory Report No. LAUR 86-748.
Lonsdale, K. (1985). International Tables for X-ray Crystallography (D. Reidel, Dordrecht), Vol. III (Table 4.1.1).
Löns, J. and Schulz, H. (1967). “Strukturverfeinerung von Sodalith, Na8Si6Al6O24Cl2,” Acta Crystallogr.ACCRA910.1107/S0365110X67002920 23, 434436.
Luger, S., Felsche, J., and Fischer, P. (1987). “Structure of hydroxysodalite Na8[AlSiO4]6(OH)2, a powder neutron diffraction study at 8 K,” Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 43, 13.
McMullan, R. K., Ghose, S., Haga, N., and Schomaker, V. (1996). “Sodalite, Na4Si3Al3O12Cl: Structure and ionic mobility at high temperatures by neutron diffraction,” Acta Crystallogr., Sect. B: Struct. Sci.ASBSDK10.1107/S0108768196004132 52, 616627.
Pauling, L. (1930). “The structure of sodalite and helvite,” Z. Kristallogr.ZEKRDZ 74, 213225.
Petricek, V., Dusek, M., and Palatinus, L. (2000). JANA 2000, Structure Determination Software Programs, Institute of Physics, Prague, Czech Republic.
Resende, J. A. L. C. and Fernandes, N. G. (2005). “X-ray powder refinement of a natural garnet from Diamantina, Minas Gerais, Brazil,” Acta Crystallogr.ACSEBH 61, i265–i267.
Taylor, D. (1967). “The sodalite group of minerals,” Contrib. Mineral. Petrol.CMPEAP10.1007/BF00372796 16, 172188.
Taylor, D. (1975). “Cell parameter correlations in the aluminosilicate-sodalites,” Contrib. Mineral. Petrol.CMPEAP 51, 3947.
Toby, B. H. (2001). “EXPGUI, a graphical user interface for GSAS,” J. Appl. Crystallogr.JACGAR10.1107/S0021889801002242 34, 210213.
Werner, P. -E., Eriksson, L., and Westdahl, M. (1985). “TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries,” J. Appl. Crystallogr.JACGAR10.1107/S0021889885010512 18, 367370.

Keywords

XRD diffraction data and Rietveld refinement of Na8[Si6Al6O24]Cl2

  • Guilherme Oliveira Siqueira (a1), Érica Gonçalves Gravina (a1), Jackson Antônio Lamounier Camargos Resende (a1) and Nelson Gonçalves Fernandes (a1)

Metrics

Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed