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Crystal-chemical study of wavellite from Zbirov, Czech Republic

Published online by Cambridge University Press:  05 July 2018

F. Capitelli ,
G. Della Ventura ,
F. Bellatreccia ,
A. Sodo ,
M. Saviano ,
M. R. Ghiara  and
M. Rossi
F. Capitelli*
Affiliation:
Istituto di Cristallografia – CNR, Via Salaria Km 29.300, 00016 Monterotondo, Rome, Italy
G. Della Ventura
Affiliation:
Dipartimento di Scienze, Università Roma Tre, Largo S. L. Murialdo 1, 00146 Rome, Italy
F. Bellatreccia
Affiliation:
Dipartimento di Scienze, Università Roma Tre, Largo S. L. Murialdo 1, 00146 Rome, Italy
A. Sodo
Affiliation:
Dipartimento di Scienze, Università Roma Tre, Largo S. L. Murialdo 1, 00146 Rome, Italy
M. Saviano
Affiliation:
Istituto di Cristallografia – CNR, Via G. Amendola, 122/O, 70126 Bari, Italy
M. R. Ghiara
Affiliation:
Dipartimento di Scienze della Terra, Università degli Studi di Napoli Federico II, Via Mezzocannone 8, 80134 Naples, Italy Real Museo Mineralogico, Centro Musei delle Scienze Naturali, Università degli Studi di Napoli Federico II, Via Mezzocannone 8, 80134 Naples, Italy
M. Rossi
Affiliation:
Real Museo Mineralogico, Centro Musei delle Scienze Naturali, Università degli Studi di Napoli Federico II, Via Mezzocannone 8, 80134 Naples, Italy
*
* E-mail: francesco.capitelli@ic.cnr.it
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Abstract

The crystal chemistry of wavellite from Zbirov (Czech Republic), ideally Al3(PO4)2(OH,F)3·5H2O, was addressed by means of a multi-methodological approach based on electron microprobe analysis (EMPA) using wave-dispersive spectroscopy, single-crystal X-ray diffraction, powder and singlecrystal infrared spectroscopy and Raman spectroscopy. The EMPA data showed the presence of significant F replacing OH in the sample studied. The structure was solved in the Pcmn orthorhombic space group, with the following unit-cell constants: a = 9.6422(7), b = 17.4146(15), c = 7.0094(2) Å, V = 1176.98(10) Å3. Phosphorus atoms display tetrahedral (PO4) coordination, while Al cations display octahedral coordination. The mineral framework can be viewed as the repetition of cationic arrays made up of AlO6 polyhedra, bridged by PO4 groups and further joined by O–H⋯O hydrogen bonds. The single-crystal unpolarized Fourier transform infrared (FTIR) spectrum shows combination bands indicating the presence of both OH and H2O in the structure. Both FTIR and Raman spectra show a broad absorption extending from 3600 to 2800 cm−1 resulting from the overlapping of several components due to the water molecules and the OH group. The frequencies observed are comparable to those expected on the basis of the Libowitzky relationship for the range of D–H⋯A bond systems in the structure.

Keywords

wavellitephosphateEMPAsingle-crystal X-ray structure refinementFTIR spectroscopyRaman spectroscopy
Type
Research Article
Information
Mineralogical Magazine , Volume 78 , Issue 4 , August 2014 , pp. 1057 - 1070
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2014

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