Abstract
Crystal structures of Ca 2 Sr(C 2 H 5 CO 2 ) 6 at sixteen temperatures between -160°C and 150°C have been determined accurately, using an X-ray four circle diffractometer. The occupancies of the three disordered methyl groups in a formula unit, together with the displacements of Sr, Ca and O atoms, vary with temperature in the same manner as the spontaneous polarization which takes a saturated value at -160°C. In contrast to this, one of the other methyl groups is in a state of partial disorder even at -160°C. The major part of the spontaneous polarization is explainable by displacements of Ca-O 6 octahedra relative to Sr ton. Using the result of the thermal expansion along the c -axis measured by the Bond method, it was found that the spontaneous strain was compatible with the equivalent two sublattice model on the basis of the determined crystal structures.
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