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Apatite metaprism twist angle (φ) as a tool for crystallochemical diagnosis

Lookup NU author(s): Dr Stevin PramanaORCiD


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[AI]4[AII]6(BO 4)6X2 apatites can flexibly accommodate numerous cationic, metalloid and anionic substitutions. Using a combination of new refinements and published structures, this paper reviews correlations between substituent type and framework adaptation through adjustment of the AIO6 metaprism twist angle, φ. These systematics are illustrated through powder neutron diffraction refinement of the crystal chemistry of A10(PO4)6F2 (A=Ca, Sr) fluorapatites. Variations in φ reflect changes in the relative size of the AI 4(BO4)6 framework and A II 6X2 tunnel content and can be used to quantitatively assess the reliability of AI/AII cation partitioning coefficients determined by Rietveld analysis. In the simplest cases of bi-ionic substitution, the metaprism twist systematics conform to three principle trends For A-type divalent substitution, the larger A2 species preferentially enters the channel before partitioning to the framework. This leads to parabolic modification in φ across the compositional series;For B-type pentavalent compounds, the φ variation will be linear in accord with the relative B5 ionic size; andFor X-type substitution of halide anions, φ will be reduced as the average size increases. Departures from these trends may indicate polymorphism, compositional anomalies, A I/AII order disequilibrium, or poor structure refinement, and may be extended to chemically complex apatites with simultaneous substitutions over the A, B and X sites. © 2011 Elsevier Inc. All rights reserved.

Publication metadata

Author(s): Lim SC, Baikie T, Pramana SS, Smith R, White TJ

Publication type: Article

Publication status: Published

Journal: Journal of Solid State Chemistry

Year: 2011

Volume: 184

Issue: 11

Pages: 2978-2985

Print publication date: 01/11/2011

Online publication date: 01/09/2011

ISSN (print): 0022-4596

ISSN (electronic): 1095-726X

Publisher: Academic Press


DOI: 10.1016/j.jssc.2011.08.031


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