Bosi, F. (2010) Octahedrally coordinated vacancies in tourmaline: a theoretical approach. Mineralogical Magazine, 74 (6) 1037-1044 doi:10.1180/minmag.2010.074.6.1037
| Reference Type | Journal (article/letter/editorial) | ||
|---|---|---|---|
| Title | Octahedrally coordinated vacancies in tourmaline: a theoretical approach | ||
| Journal | Mineralogical Magazine | ||
| Authors | Bosi, F. | Author | |
| Year | 2010 (December) | Volume | 74 |
| Issue | 6 | ||
| Publisher | Mineralogical Society | ||
| DOI | doi:10.1180/minmag.2010.074.6.1037Search in ResearchGate | ||
| Generate Citation Formats | |||
| Mindat Ref. ID | 244118 | Long-form Identifier | mindat:1:5:244118:8 |
| GUID | 0 | ||
| Full Reference | Bosi, F. (2010) Octahedrally coordinated vacancies in tourmaline: a theoretical approach. Mineralogical Magazine, 74 (6) 1037-1044 doi:10.1180/minmag.2010.074.6.1037 | ||
| Plain Text | Bosi, F. (2010) Octahedrally coordinated vacancies in tourmaline: a theoretical approach. Mineralogical Magazine, 74 (6) 1037-1044 doi:10.1180/minmag.2010.074.6.1037 | ||
| Abstract/Notes | AbstractBond-valence theory is used to explore the local arrangements involving vacancies at the Y and Z sites in the tourmaline structure. The local bond-valence requirements of all possible local arrangements around the O8, O7, O6, O3 and O1 anion-sites have been determined for Y- and Z-site vacancies locally associated with Li1+, Mg2+, Al3+, Fe2+, Fe3+, B3+ and Si4+. The results show that arrangements involving tetrahedrally coordinated TR3+-cations and octahedrally coordinated YR2+- and ZR2+-cations around O8, 07 and O6 can be ruled out, together with arrangements involving vacancies and YLi1+. As the occurrence of a Y-site vacancy (Yβ) is more in accord with the valence-sum rule than the occurrence of a Z-site vacancy (Zβ), Yβ is more likely to occur than Zβ in tourmaline. Local arrangements involving vacancies around O1- and O3-sites can be stable for OHβ, but not for O2β. Of particular interest in this regard are the arrangements [YR3+YR3+Yβ]βO1(OHβ) and [ZR3+ZR3+Yβ]βO3(OHβ), which yield the smallest deviations from the valence-sum rule. Coupling these stable arrangements with 2 Γ [TSi4+ZR3+Yβ]βO6(O2β) forms larger vacancy clusters: [Y(R3+)2βO1(OHβ)βy(β)β O3(OHβ)βO6(O2β)2β(ZR3+TSi4+)2]. In tourmaline, vacancies are more favoured to occur at Y rather than at Z, in tandem with OHβ at O3 and O1, R3+ at Y and Z and Si4+ at T. | ||
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