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Synthesis and characterization of sulfide oxide SrZnSO with strongly polar crystal structure

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Liu,  Wei
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Lai,  Kwing To
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Prots,  Yurii
Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Burkhardt,  Ulrich
Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Valldor,  Martin
Martin Valldor, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Liu, W., Lai, K. T., Eckhardt, K., Prots, Y., Burkhardt, U., & Valldor, M. (2017). Synthesis and characterization of sulfide oxide SrZnSO with strongly polar crystal structure. Journal of Solid State Chemistry, 246, 225-229. doi:10.1016/j.jssc.2016.11.035.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002C-836F-5
Abstract
Pure SrZnSO powder is successfully prepared from repeated reactions at 1050 degrees C followed by a water sonication treatment. The final product has a light green color. Crystallites are optically transparent and crystal structure investigations reveal that SrZnSO crystallizes in a non-centrosymmetric, polar, hexagonal space group (P6(3)mc, alpha=3.90442(6) angstrom and c=11.6192(2) angstrom) and is isostructural to CaZnSO. The crystal structure of SrZnSO has polar layers in the ab plane of S-vertex-sharing ZnS3O tetrahedra that are separated by Sr ions: the complete structure can be written as Sr-infinity(2)[ZnS3/3O1/1]. Heat capacity measurements reveal that the room-temperature structure of SrZnSO persists down to 2 K. From optic data, a band-gap of about 3.1 eV is estimated and further absorption bands indicate defects in the anion lattice. Calculations based on atom fractional coordinates suggest that SrZnSO is less polar than CaZnSO.