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Persistent URL http://purl.org/net/epubs/work/34549
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Record Id 34549
Title Rietveld study of the structural phase-transition in the Sanmartinite (ZNWO4)-Cuproscheelite (CUWO4) solid-station
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Abstract The P (1) over bar to P2/c phase transition in Cu1-xZnxWO4 has been investigated by observing structural changes across the solid solution. The crystal structures of samples with x = 0.85, 0.55 and 0.30 have been refined by the Rietveld method from high-resolution synchrotron X-ray diffraction data. The Cu/Zn and W atoms are in distorted octahedral coordination. The microscopic order parameter (defined in terms of changes in Cu/Zn-O bond lengths) behaves in a similar manner to the previously-recorded macroscopic spontaneous strain. Rigid-unit-mode analysis shows that the transition does not involve distortions of a framework of rigid octahedra. Rather, the co-operative Jahn-Teller distortion of the CuO6 octahedra is identified as the driving mechanism, with WO6 octahedral distortions occurring as a secondary process.
Organisation CCLRC , SRS , 2.3
Keywords Materials , Chemistry , CUWO4 , ZNWO4 , Behaviour , Crystals , Ferroelasticity , Jahn-Teller , Sanmartinite CuproscheelITE SOLID SOLUTION
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Language English (EN)
Type Details URI(s) Local file(s) Year
Journal Article Eur J Miner 7 (1995): 1019-1028. 1995