Refinement of the crystal structures of synthetic nickel- and cobalt-bearing tourmalines |
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| Authors: | I. V. Rozhdestvenskaya T. V. Setkova O. S. Vereshchagin A. G. Shtukenberg Yu. B. Shapovalov |
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| Affiliation: | 1.St. Petersburg State University,St. Petersburg,Russia;2.Institute of Experimental Mineralogy,Russian Academy of Sciences,Chernogolovka, Moscow oblast,Russia |
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| Abstract: | The crystal structures of synthetic tourmalines with a unique composition containing 3d elements (Ni, Fe, and Co) have been refined: (Ca0.12?0.88)(Al1.69Ni 0.81 2+ Fe 0.50 2+ )(Al5.40Fe 0.60 3+ )(Si5.82Al0.18O18)(BO3)3(OH)3.25O0.75 I, a = 15.897(5), c = 7.145(2) Å, V = 1564(1) Å; Na0.91(Ni 1.20 2+ Cr 0.96 3+ Al0.63Fe 0.18 2+ Mg0.03)(Al4.26Ni 1.20 2+ Cr 0.48 3+ Ti0.06)(Si5.82Al0.18)O18(BO3)3(OH)3.73O0.27 II, a = 15.945(5), c = 7.208(2) Å, V = 1587(1) Å3 and Na0.35(Al1.80Co 1.20 2+ )(Al5.28Co 0.66 2+ Ti0.06)(Si5.64B0.36)O18(BO3)3(OH)3.81O0.19 III, a = 15.753(8), c = 7.053(3) Å, V = 1516(2) Å3. The reliability factors are R 1 = 0.038?0.057 and wR 2 = 0.041–0.060. It is found that 3d elements occupy both Y- and Z positions in all structures. The excess positive charge is compensated for due to the incorporation of divalent oxygen anions into the O3(V)+O1(W) positions. |
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