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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Tiekink, E. R. T.

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Neutron-diffraction studies of CuSO4 · 5H2O and CuSO4 · 5D2O

G. E. Bacon / D. H. Titterton

Citation Information: Zeitschrift für Kristallographie. Volume 141, Issue 5-6, Pages 330–341, ISSN (Online) 0044-2968, ISSN (Print) 1433-7266, DOI: 10.1524/zkri.1975.141.5-6.330, July 2010

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Three-dimensional analysis of crystals containing hydrogen and deuterium have produced R values of 3.7% and 5.9% respectively and the distinctive individual geometry of the five water molecules previously known in the hydrate is faithfully reproduced in the deuterate. In the hydrate the H–O–H angle ranges from 106.7 to 112.9°, with a standard deviation of about 0.5° on the individual values, compared with a range from 104.7 to 112.6°, with a standard deviation of 0.3°, for the deuterate.

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