We present results of detailed investigation of the crystal structure of
Pb1−3x/2Lax(Zr1−yTiy)O3
solid solutions. In this letter our attention is concentrated on the series of solid solutions with
x = 6%
usually referred to as relaxor ferroelectrics. We have established the reasons for the
non-cubic crystal structure of these solid solutions at the temperatures below
TC. It is demonstrated that the peculiarities of the properties of
Pb1−3x/2Lax(Zr1−yTiy)O3
depend on the position of a particular solid solution with respect to the hysteresis
ferroelectric–antiferroelectric region in the ‘Ti-content–temperature’ phase diagram.
Details of the crystal structure and quantum chemistry calculations of the title molecule, C13H9BrO, illustrate the effects of intermolecular interactions and the substitution of one of the two aromatic rings on the molecular conformation. The asymmetry of the molecule is documented by the two Caryl—Caryl—C=O torsion angles of −68.3 (5) and −17.6 (6)°. A C—H·O hydrogen bond [H·O = 2.5 Å, C·O = 3.412 (5) Å and C—H·O = 174°] and a C—H·π contact involving the H atom at position 4 of the substituted ring and the π‐system of the unsubstituted ring of an adjacent molecule [H·Cg = 2.96 Å, C·Cg = 3.806 (5) Å and C—H·Cg = 153°; where Cg is the centroid of the unsubstituted ring] are observed in the crystal structure.
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