Verfeinerung der Struktur von Malachit, Cu2(OH)2CO3, durch Neutronenbeugung
| Autor: | W. Joswig, H. D. Schuster, Sax A. Mason, F. Zigan |
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| Rok vydání: | 1977 |
| Předmět: | |
| Zdroj: | Zeitschrift für Kristallographie - Crystalline Materials. 145:412-426 |
| ISSN: | 2196-7105 2194-4946 |
| DOI: | 10.1524/zkri.1977.145.5-6.412 |
| Popis: | The crystal structure of malachite is refined (R = 0.021) with the intensity values of 635 independent neutron reflexions from a single crystal, rather free from absorption and extinction. Concerning the structural geometry, no essential deviations occur from the known results of x-ray diffraction. The thermal elongations are generally largest about the normal to the ([unk]01) layers, between which the bonding is relatively weak. In both of the (medium, bent) OH…O hydrogen bonds, the anisotropic thermal parameters, converted according to the riding model, are – with certain restrictions – in agreement with the measured infrared spectrum as well as with frequencies and directions of the proton vibration calculated from the bonding geometry on the basis of a theoretical model. |
| Databáze: | OpenAIRE |
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