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Synthesis and crystal structure refinement by the Rietveld method of antimony-bearing titanite Ca(Ti0.6Al0.2Sb0.2)OSiO4

Published online by Cambridge University Press:  29 February 2012

Fernando Colombo  and
Elisa V. Pannunzio Miner
Fernando Colombo*
Affiliation:
Cátedra de Geología General, Facultad de Ciencias Exactas, Físicas y Naturales, Universidad Nacional de Córdoba, Vélez Sarsfield 1611, 5000 Córdoba, Argentina
Elisa V. Pannunzio Miner
Affiliation:
INFIQC-CONICET, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria s/n, 5000 Córdoba, Argentina
*
a)Author to whom correspondence should be addressed. Electronic mail: fcolombo@com.uncor.edu
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Abstract

A synthetic analogue, Ca(Ti0.6Al0.2Sb0.2)OSiO4, of antimony-bearing titanite of a composition similar to that found at St. Marcel-Praborna (Italy) was synthesized using ceramic methods and the crystal structure was refined using the Rietveld method. Unit-cell dimensions (in Å) are a=7.0184(1), b=8.7097(2), c=6.5586(1), and β=113.700(1)°. The substitution of 40% Ti by (Al+Sb) in octahedra causes a loss of long-range coherency of the off-centered Ti atoms. The space group of Sb-bearing titanite is A2/a, like other cases of M3+-M5+-doped titanites. This study confirms that titanite with up to 0.2 Sb atom per f.u. can exist and that the substitution scheme is 2Ti4+↔Al3++Sb5+.

Keywords

doped titaniteantimonyRietveld refinement
Type
Technical Articles
Information
Powder Diffraction , Volume 24 , Issue 3 , September 2009 , pp. 221 - 227
Copyright
Copyright © Cambridge University Press 2009

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