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Refinement of the crystal structures of three fluorine-bearing elbaites

机译：三种含氟Elbaite晶体结构的细化

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The crystal structures of three Li-Al natural tourmalines (elbaites) containing 0.88-1.39 wt % F are refined to R = 0.0294, 0.0308, and 0.0417. It is revealed that the W threefold anion site is split into two sites, namely, the W1 threefold site and W2 ninefold site (W1-W2 similar to 0.4 angstrom, Y-W-1 >= 1.94 angstrom, Y-W2 >= 1.75 angstrom). The following hypothesis is proposed and justified: the W1 and W2 sites are partially occupied by OH groups and fluorine anions, respectively. The ratio of the [YO4(OH)(2)] octahedra to the [YO4(OH)F] octahedra depends on the fluorine content and varies from structure to structure. The fact that the W site is more than 50% occupied by fluorine in the structures of two tourmalines under investigation allows the conclusion that fluor-elbaite with the ideal formula Na(Li1.5Al1.5)Al-6(Si6O18)(BO3)(3)(OH)(3)F is a new mineral species and that elbaite can be considered a superspecies. (C) 2005 Pleiades Publishing, Inc.
机译：将三种含有0.88-1.39 wt％F的Li-Al天然电气石（elbaite）的晶体结构精炼为R = 0.0294、0.0308和0.0417。揭示了W三重阴离子位点被分为两个位点，即W1三重位点和W2九重位点（W1-W2类似于0.4埃，YW-1> = 1.94埃，Y-W2> = 1.75埃） 。提出并证明了以下假设：W1和W2位分别被OH基团和氟阴离子部分占据。 [YO4（OH）（2）]八面体与[YO4（OH）F]八面体的比例取决于氟含量，并且随结构的不同而变化。在两个正在研究的电气石的结构中W位置被氟占据50％以上的事实使得可以得出结论，具有理想分子式Na（Li1.5Al1.5）Al-6（Si6O18）（BO3）的氟硅铝石（3）（OH）（3）F是一种新的矿物物种，该钠铝石可以被认为是一种超级物种。 （C）2005年Pleiades Publishing，Inc.

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