Analysis of electromigration and structure of AWO₄ (A = Ca, Cd, Pb, Zn) crystals using the TOPOS program complex

Chem. Met. Alloys 9 (2016) 128-134

https://doi.org/10.30970/cma9.0342

V.N. SHEVCHUK, I.V. KAYUN

A stereo-atomic crystal structure analysis of AWO₄ (A = Ca, Cd, Pb, Zn) crystals was carried out. The program package TOPOS was used for the calculation. The migration path of the W ions in AWO₄ compounds at room and higher temperatures was visualized. The conditions for ionic conductivity in crystals with scheelite-type structure were discussed.

Probable migration pathways calculated at RT for the W ions in PbWO₄ using crystal data from the literature and the characteristic junction of migration pathways (inset).

Keywords

AWO₄ (A = Ca, Cd, Pb, Zn) / TOPOS / Electromigration / Migration map / Scheelite / Wolframite