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European Journal of Mineralogy; October 2003; v. 15; no. 5; p. 875-881; DOI: 10.1127/0935-1221/2003/0015-0875
© 2003 E. Schweizerbart'sche Verlagsbuchhandlung Science Publishers
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X-ray single-crystal structure refinement of an OH-rich topaz from Sulu UHP terrane (Eastern China) – Structural foundation of the correlation between cell parameters and fluorine content

Augusta ALBERICO*, Simona FERRANDO, Gabriella IVALDI and Giovanni FERRARIS

Dipartimento di Scienze Mineralogiche e Petrologiche, Università degli Studi di Torino, Via Valperga Caluso n. 35, I-10125 Torino, Italy

* Corresponding author, e-mail: augusta.alberico{at}unito.it

An OH-rich topaz, Al2SiO4F1.4OH0.6, occurring in a kyanite quartzite of the Sulu UHP terrane (eastern China) has been optically and chemically (electron microprobe) characterised and its crystal structure refined by single-crystal X-ray diffraction data. Anisotropic refinement converged to R = 0.024 in the Pbnm space group with cell parameters a = 4.6696(8) Å, b = 8.8486(17) Å, c = 8.3915(22) Å. The position of the hydrogen atom has been detected; because the OH -> F substitution is less than 50 %, the disorder of H does not lower the overall symmetry. The influence of the OH -> F substitution on the lattice parameters is discussed in terms of crystal structure and shown to affect primarily the a and b cell edges; instead c is almost constant. A critical revision of earlier linear correlations of the F content (wf) vs the lattice parameters and the availability of new data recently published, allowed to obtain improved regression lines for wf vs a (r2 = 0.982) and b (r2 = 0.968) cell edges.

Key-words: OH -> F substitution, OH-rich topaz, crystal structure, cell dimensions vs structure, prediction of fluorine content.




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