Investigation of the crystal structure of newberyite,MgHPO4·3H2O,by single crystal neutron diffraction |
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| Authors: | Prof Dr H Bartl Prof Dr M Catti Dr W Joswig Prof Dr G Ferraris |
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| Institution: | (1) Present address: Institut für Kristallographie der Universität Frankfurt, D-6000 Frankfurt/Main, Federal Republic of Germany;(2) Present address: Dipartimento di Chimica Fisica ed Elettrochimica dell'Università, Via Golgi 19, I-20133 Milano, Italy;(3) Present address: Istituto di Mineralogia, Cristallografia e Geochimica  G. Spezia dell'Università, Via S. Massimo 22, I-10123 Torino, Italy |
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| Abstract: | Summary Elastic neutron diffraction data were collected from a single crystal of synthetic newberyite ( =1.269 Å). The anisotropic least-squares refinement of 146 parameters against 1008 observations yieldedR=1.9%. The environment of water molecules, hydrogen bonding, especially of bifurcated geometry, and the thermal motion of hydrogen atoms are discussed.
Untersuchung der Kristallstruktur von Newberyit, MgHPO4·3H2O, durch Einkristallneutronenbeugung Zusammenfassung Gegen 1008  elastische Neutronenbeugungsreflexe eines sythetischen Newberyit Einkristalles wurden 146 freie Parameter bisR=1,9% anisotrop verfeinert. Die Bindungsgeometrie der Kristallwassermoleküle, die Wasserstoffbrückenbindungen, zumal Gabelungen, und die thermischen Schwingungsparameter der Protonen werden behandelt.
With 3 Figures |
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