1. Orientational disorder and phase transitions in crystals of dioxofluoromolybdate, (NH4)2MoO2F4.
- Author
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Udovenko, Anatoly A., Vasiliev, Alexander D., and Laptash, Natalia M.
- Subjects
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HYDROGEN bonding , *ANIONS , *X-ray diffraction , *CHEMICAL bonds , *ATOMS , *SYMMETRY (Physics) - Abstract
Dioxotetrafluoromolybdate, (NH4)2MoO2F4, was synthesized in a single-crystal form and its structures [(I) at 297 K and (II) at 223 KI were determined by X-ray diffraction. Two independent states of a cis-MoO2F4 octahedron are character- istic of static and dynamic disorder in structure (I). The dynamically disordered Mo atom is displaced from the symmetry axis producing four possible orientations of an anion that allow O and F atoms to be identified in separate orientations owing to the inherent differences between the Mo-O and Mo-F bonding. After the phase transition at lower temperature, (I) transforms into the statically disordered structure (II) with three possible orientations of the cis-MoO2F4 octahedron. In this case, it also seemed possible to distinguish between O and F atoms on a local scale. H atoms of two independent NH4 groups in (II) which form bifurcated N-H∙∙∙F(O) hydrogen bonds were localized. [ABSTRACT FROM AUTHOR]
- Published
- 2010
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