Structure-property correlation over five phases and four transitions in Pb5Al3F19

The calorimetric and dielectric properties of Pb5Al3F19 in the five phases stable under ambient pressure are correlated with structure for fuller characterization of each phase. The first-order transition between ferroelectric phase V and antiferroelectric phase IV at TV,IV = 260 (5) K exhibits a thermal hysteresis of 135 (5) K on heating, with a maximum atomic displacement [Delta](xyz)max = 1.21 (6) Å; the transition from phase IV to ferroelastic phase III at 315 (5) K is also first order but with a thermal hysteresis of 10 (5) K..

Cu(OH)2: a new ferroelectric

The crystal structure of Cu(OH)2, recently redetermined at room temperature by Oswald, Reller, Schmalle &amp; Dubler [Acta Cryst. (1990), C46, 2279–2284], is shown to satisfy the structural criteria for ferroelectricity. The Cu2+ ion at 295 K is displaced 0.131 Å from the most likely paraelectric atomic arrangement, allowing the prediction to be made that the ferroelectric Curie temperature is Tc = 343 K. This prediction is in excellent agreement with an earlier report of a reversible structural transition at 325–335 K in Cu(OH)2. The presence of a λ-shaped anomaly in the heat capacity at about 335 K has been confirmed, and a dielectric anomaly is also observed at similar temperatures over a wide frequency range; the frequency dependence is dispersive, owing at least partly to ionic conductivity. The prediction is hence verified, and Cu(OH)2 is demonstrated experimentally to be a new ferroelectric.</jats:p