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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Molokeev M. S., Misyul' S. V.
Заглавие : Processes of ordering of structural elements, critical and noncritical parameters of phase transitions in the (NH4)3WO3F3 crystal
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 54, Is. 1. - P.155-165. - ISSN 1063-7834, DOI 10.1134/S1063783412010222. - ISSN 1090-6460
Примечания : Cited References: 18. - This study was supported by the Russian Foundation for Basic Research (project no. 09-02-00062) and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation (grant no. NSh-4645.2010.2).
Предметные рубрики: OXYFLUORIDE
TRANSFORMATIONS
(NH4)3TiOF5
DISORDER
Аннотация: The structure of the low-temperature triclinic phase of the (NH4)3WO3F3 crystal has been determined and the structure of the cubic phase of this crystal has been refined from data of an X-ray diffraction experiment performed for a powder sample. The profile and structural parameters have been refined according to the procedure implemented in the DDM program. The results obtained have been discussed with invoking the group-theoretical analysis of the complete order parameter condensate, which takes into account the critical and noncritical atomic orderings and allows one to interpret the obtained experimental data. It has been found that the symmetry transformation in the crystal can be schematically represented in the following form: Fm3¯m(Z=4)→P1¯(Z=1)→P1¯(Z=6)Fm\bar 3m(Z = 4) \to P\bar 1(Z = 1) \to P\bar 1(Z = 6) . This transformation is accompanied by the complete ordering of WO3F3 polyhedra and the displacement of NH4 ions.
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