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Crystallochemistry and structural studies of two newly CaSb0.50Fe1.50(PO4)3 and Ca0.50SbFe(PO4)3 Nasicon phases

Published online by Cambridge University Press:  01 March 2012

Abderrahim Aatiq ,
My Rachid Tigha ,
Rabia Hassine  and
Ismael Saadoune
Abderrahim Aatiq*
Affiliation:
Département de Chimie, Laboratoire de Chimie des Matériaux Solides, Faculté des Sciences Ben M’Sik, Avenue Idriss El harti, B.P. 7955, Casablanca, Morocco
My Rachid Tigha
Affiliation:
Département de Chimie, Laboratoire de Chimie des Matériaux Solides, Faculté des Sciences Ben M’Sik, Avenue Idriss El harti, B.P. 7955, Casablanca, Morocco
Rabia Hassine
Affiliation:
Département de Chimie, Laboratoire de Chimie des Matériaux Solides, Faculté des Sciences Ben M’Sik, Avenue Idriss El harti, B.P. 7955, Casablanca, Morocco
Ismael Saadoune
Affiliation:
Centre d’Excellence de Recherche sur les Matériaux (CERM), Laboratoire de Chimie des Matériaux et de l’environnement, Av. A. Khattabi, B.P. 549, Marrakech, Morocco
*
a)Electronic mail: [email protected]
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Abstract

Crystallographic structures of two new orthophosphates Ca0.50SbFe(PO4)3 and CaSb0.50Fe1.50(PO4)3 obtained by conventional solid state reaction techniques at 900 °C, were determined at room temperature from X-ray powder diffraction using Rietveld analysis. The two compounds belong to the Nasicon structural family. The space group is R3 for Ca0.50SbFe(PO4)3 and R3c for CaSb0.50Fe1.50(PO4)3. Hexagonal cell parameters for Ca0.50SbFe(PO4)3 and CaSb0.50Fe1.50(PO4)3 are: a=8.257(1) Å, c=22.276(2) Å, and a=8.514(1) Å, c=21.871(2) Å, respectively. Ca2+ and vacancies in {[Ca0.50]3a[◻0.50]3b}M1SbFe(PO4)3 are ordered within the two positions, 3a and 3b, of M1 sites. Structure refinements show also a quasi-ordered distribution of Sb5+ and Fe3+ ions within the Nasicon framework. Thus, in {[Ca0.50]3a[◻0.50]3b}M1SbFe(PO4)3, each Ca(3a)O6 octahedron shares two faces with two Fe3+O6 octahedra and each vacancy (◻(3b)O6) site is located between two Sb5+O6 octahedra. In [Ca]M1Sb0.50Fe1.50(PO4)3 compound (R3c space group), all M1 sites are occupied by Ca2+ and the Sb5+ and Fe3+ ions are randomly distributed within the Nasicon framework.

Keywords

antimony and iron phosphateNasicon structureRietveld refinementX-ray diffraction
Type
Technical Articles
Information
Powder Diffraction , Volume 21 , Issue 1 , March 2006 , pp. 45 - 51
Copyright
Copyright © Cambridge University Press 2006

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