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Title: Rietveld refinement and ionic conductivity of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}

Abstract

The structure of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}, isostructural with Fluoroapatite, was determined by X-ray powder diffraction methods. The results of Rietveld refinement revealed that the formula of this compound is [Ca{sub 4}]{sup 4f}[Ca{sub 4.4}Bi{sub 1.6}]{sup 6h}(PO{sub 4}){sub 6}[O{sub 1.8}]{sup 2a}, space group P63/m (a=9.468 (3) A, c=6.957 (3) A). A total substitution of Bi{sup 3+} ions in the (6h) sites was related particularly to the high polarizability of the Bi{sup 3+} ion compared to Ca{sup 2+}. The observed frequencies in the Raman and infrared spectra were explained and discussed on the basis of unit-cell group analyses and in comparison with Fluoroapatite and other oxyapatites. The ionic conductivity over a wide range of temperature was investigated according to the complex impedance method. The highest overall conductivity values were found at {sigma}{sub 700 Degree-Sign C} =5.03 Multiplication-Sign 10{sup -7} S cm{sup -1} and E{sub a}=0.50 eV. - Graphical abstract: The final Rietveld refinement plot of the Ca{sub 8.4}Bi{sub 1.6} (PO{sub 4}){sub 6}O{sub 1.8}. Highlights: Black-Right-Pointing-Pointer The Rietveld refinement revealed that the formula of this compound is Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}. Black-Right-Pointing-Pointer Vibrational spectroscopy supports the high symmetry P63/m space group for this apatite. Black-Right-Pointing-Pointer This apatite contained channelsmore » where oxygen ions were located in 2a sites. Black-Right-Pointing-Pointer The possibility of anionic conduction along these channels was considered.« less

Authors:
 [1];  [2];  [3]
  1. Laboratory of the Physics of Materials, Faculty of Science of Bizerte, University of Carthage, Zarzouna 7021, Bizerte (Tunisia)
  2. LdoF-UMR 6010, Faculty of Science and Techniques, University of Maine, Avenue O. Messiaen, 7285 Le Mans Cedex 9 (France)
  3. Laboratory of the Physico-Chemistry of Solid States, LR11 ES51, University of Sfax, Road of Soukra km 4, Sfax 3038 (Tunisia)
Publication Date:
OSTI Identifier:
22131170
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 197; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ABSORPTION SPECTROSCOPY; APATITES; BISMUTH IONS; CALCIUM IONS; HEXAGONAL LATTICES; INFRARED SPECTRA; INORGANIC COMPOUNDS; IONIC CONDUCTIVITY; OXYGEN IONS; PHOSPHATES; RAMAN SPECTROSCOPY; SPACE GROUPS; X-RAY DIFFRACTION

Citation Formats

Tmar Trabelsi, I., E-mail: ilhem_tmar@yahoo.fr, Madani, A., Mercier, A. M., and Toumi, M. Rietveld refinement and ionic conductivity of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}. United States: N. p., 2013. Web. doi:10.1016/J.JSSC.2012.08.005.
Tmar Trabelsi, I., E-mail: ilhem_tmar@yahoo.fr, Madani, A., Mercier, A. M., & Toumi, M. Rietveld refinement and ionic conductivity of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}. United States. https://doi.org/10.1016/J.JSSC.2012.08.005
Tmar Trabelsi, I., E-mail: ilhem_tmar@yahoo.fr, Madani, A., Mercier, A. M., and Toumi, M. 2013. "Rietveld refinement and ionic conductivity of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}". United States. https://doi.org/10.1016/J.JSSC.2012.08.005.
@article{osti_22131170,
title = {Rietveld refinement and ionic conductivity of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}},
author = {Tmar Trabelsi, I., E-mail: ilhem_tmar@yahoo.fr and Madani, A. and Mercier, A. M. and Toumi, M.},
abstractNote = {The structure of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}, isostructural with Fluoroapatite, was determined by X-ray powder diffraction methods. The results of Rietveld refinement revealed that the formula of this compound is [Ca{sub 4}]{sup 4f}[Ca{sub 4.4}Bi{sub 1.6}]{sup 6h}(PO{sub 4}){sub 6}[O{sub 1.8}]{sup 2a}, space group P63/m (a=9.468 (3) A, c=6.957 (3) A). A total substitution of Bi{sup 3+} ions in the (6h) sites was related particularly to the high polarizability of the Bi{sup 3+} ion compared to Ca{sup 2+}. The observed frequencies in the Raman and infrared spectra were explained and discussed on the basis of unit-cell group analyses and in comparison with Fluoroapatite and other oxyapatites. The ionic conductivity over a wide range of temperature was investigated according to the complex impedance method. The highest overall conductivity values were found at {sigma}{sub 700 Degree-Sign C} =5.03 Multiplication-Sign 10{sup -7} S cm{sup -1} and E{sub a}=0.50 eV. - Graphical abstract: The final Rietveld refinement plot of the Ca{sub 8.4}Bi{sub 1.6} (PO{sub 4}){sub 6}O{sub 1.8}. Highlights: Black-Right-Pointing-Pointer The Rietveld refinement revealed that the formula of this compound is Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}. Black-Right-Pointing-Pointer Vibrational spectroscopy supports the high symmetry P63/m space group for this apatite. Black-Right-Pointing-Pointer This apatite contained channels where oxygen ions were located in 2a sites. Black-Right-Pointing-Pointer The possibility of anionic conduction along these channels was considered.},
doi = {10.1016/J.JSSC.2012.08.005},
url = {https://www.osti.gov/biblio/22131170}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 197,
place = {United States},
year = {Tue Jan 15 00:00:00 EST 2013},
month = {Tue Jan 15 00:00:00 EST 2013}
}