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

Published online by Cambridge University Press:  29 February 2012

Guilherme Oliveira Siqueira ,
Érica Gonçalves Gravina ,
Jackson Antônio Lamounier Camargos Resende  and
Nelson Gonçalves Fernandes
Guilherme Oliveira Siqueira
Affiliation:
Department of Chemistry, Federal University of Minas Gerais, Av. Antônio Carlos 6627, 31270-901 Belo Horizonte, Brazil
Érica Gonçalves Gravina
Affiliation:
Department of Chemistry, Federal University of Minas Gerais, Av. Antônio Carlos 6627, 31270-901 Belo Horizonte, Brazil
Jackson Antônio Lamounier Camargos Resende
Affiliation:
Department of Chemistry, Federal University of Minas Gerais, Av. Antônio Carlos 6627, 31270-901 Belo Horizonte, Brazil
Nelson Gonçalves Fernandes*
Affiliation:
Department of Chemistry, Federal University of Minas Gerais, Av. Antônio Carlos 6627, 31270-901 Belo Horizonte, Brazil
*
a)Author to whom correspondence should be addressed. Electronic mail: ngfernandes@qui.ufmg.br
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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.

Keywords

sodalitealuminosilicate frameworkdiffraction dataRietveld refinement

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Type
New Diffraction Data
Information
Powder Diffraction , Volume 24 , Issue 1 , March 2009 , pp. 41 - 43
Copyright
Copyright © Cambridge University Press 2009

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