Re-refinement of sodium ammonium sulfate dihydrate at 170 K

The title compound, sodium ammonium sulfate dihydrate (SASD), NaNH(4)SO(4)·2H(2)O, a synthetic analogue of the mineral lecontite, is a well known ferroelectric. The crystal structure of the paraelectric phase has been re-refined at 170 K on the basis of single-crystal X-ray data, improving the previ...

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Detalles Bibliográficos
Autores principales: Eckhardt, Tamira, Wagner, Christoph, Imming, Peter, Seidel, Rüdiger W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462271/
https://www.ncbi.nlm.nih.gov/pubmed/36338904
http://dx.doi.org/10.1107/S2414314620012754
Descripción
Sumario:The title compound, sodium ammonium sulfate dihydrate (SASD), NaNH(4)SO(4)·2H(2)O, a synthetic analogue of the mineral lecontite, is a well known ferroelectric. The crystal structure of the paraelectric phase has been re-refined at 170 K on the basis of single-crystal X-ray data, improving the previous study [Arzt & Glazer (1994 ▸). Acta Cryst. B50, 425–431] in terms of accuracy regarding hydrogen-atom positions and thus details of the hydrogen bonding. O—H⋯O and N—H⋯O hydrogen bonds between the principal building units [Na(OH(2))(4)O(2) octa­hedra, SO(4) tetra­hedra and ammonium cations] constitute a three-dimensional network structure. [Image: see text]

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