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Chemistry Faculty Publications

Crystal Structure

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Full-Text Articles in Physical Sciences and Mathematics

Structure And Antiferroelectric Properties Of Cesium Niobate, Cs2nb4o11, Robert W. Smith, Chunhua Hu, Jianjun Liu, Wai-Ning Mei, Kuan-Jiuh Lin Jan 2007

Structure And Antiferroelectric Properties Of Cesium Niobate, Cs2nb4o11, Robert W. Smith, Chunhua Hu, Jianjun Liu, Wai-Ning Mei, Kuan-Jiuh Lin

Chemistry Faculty Publications

The compound cesium niobate, Cs2Nb4O11, is an antiferroelectric, as demonstrated by double hysteresis loops in the electric-field versus polarization plot. The crystal structure refinement by X-ray diffraction at both 100 and 297 K shows it to have a centrosymmetric structure in point group mmm and orthorhombic space group Pnna, which is consistent with its antiferroelectric behavior. The 100-K data is reported herein. The lattice is comprised of niobium-centered tetrahedra and octahedra connected through shared vertices and edges; cesium atoms occupy channels afforded by the three-dimensional polyhedral network. The critical field for onset of ferroelectric behavior in a single-crystal sample is …


Orientational Disorder In Sodium Cadmium Trifluoride Trihydrate, Nacdf3·3h2o, Robert W. Smith, Arthur Mar, Jianjun Liu, Stan Schnell, John R. Hardy Mar 2006

Orientational Disorder In Sodium Cadmium Trifluoride Trihydrate, Nacdf3·3h2o, Robert W. Smith, Arthur Mar, Jianjun Liu, Stan Schnell, John R. Hardy

Chemistry Faculty Publications

Attempts to synthesize the hypothetical anhydrous fluoroperovskite NaCdF3, which has been predicted to be stable, resulted instead in a hydrated fluoride of nominal composition NaCdF3·3H2O. It decomposes to sodium fluoride, cadmium fluoride, and water at 60 °C. Its structure has been determined by single-crystal X-ray diffraction. Na0.92(2)Cd1.08F3.08·2.92H2O crystallizes in the cubic space group with a = 8.2369(4) Å and Z = 4. The structure is based on the NaSbF6-type (an ordered variant of the ReO3-type) and features tilted sodium- and cadmium-centred octahedra …