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2 had metallic luster.
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19
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0004150157
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University of Göttingen, Göttingen, Germany
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3 at 1.48 Å from Na(2)) is probably due to some Na disorder. No superstructure was observed, but diffuse scattering contributions are present, indicating incommensurable behavior, (a) Sheldrick, G. M. SHELX-97 Program for Crystal Structure Determination; University of Göttingen: Göttingen, Germany, 1997.
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Sheldrick, G.M.1
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0040531371
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Max-Planck-Institut für Festkörperforschung; Stuttgart, Germany
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Details of the electronic structure calculation follow: The electronic structure was calculated with the local density-functional approach and the linear muffin-tin orbital (LMTO) method in the atomic sphere approximation (ASA) using the tight-binding (TB) program TB-LMTO-ASA.25a The exchange correlation potential was parametrized according to Barth and Hedin.25b The radii of the muffin-tin spheres and empty spheres were determined after Jepsen and Andersen.25c (a) van Schilfgarde, M.; Paxton, T. A.; Jepsen, O.; Andersen, O. K.; Krier, G. In Programm TB-LMTO; Max-Planck-Institut für Festkörperforschung; Stuttgart, Germany, 1994.
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Van Schilfgarde, M.1
Paxton, T.A.2
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Krier, G.5
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28
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33748225339
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(a) Savin, A.; Becke, A. D.; Flad, J.; Nesper, R.; Prüss, H.; von Schnering, H. G. Angew. Chem., Int. Ed. Engl. 1991, 30, 409.
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0000370497
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(b) Savin, A.; Nesper, R.; Wengert, S.; Fässler, T. F. Angew. Chem., Int. Ed. Engl. 1997, 36, 1809; Fässler, T. F. Chem. Soc. Rev. 2003, 32, 80.
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4243817403
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(b) Savin, A.; Nesper, R.; Wengert, S.; Fässler, T. F. Angew. Chem., Int. Ed. Engl. 1997, 36, 1809; Fässler, T. F. Chem. Soc. Rev. 2003, 32, 80.
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Fässler, T.F.1
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33
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13444257261
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note
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5, and Sn metal are identified by X-ray powder diffraction) dissolves in en, and the solution turns to red-brown color, with some particles not soluble.
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