Structure of the incommensurate phase of 4,4'-dichlorobiphenyl sulfone at 90 K

Abstract

The structure of the incommensurate phase of 4,4'-dichlorobiphenyl sulfone, (ClC 6 H 4 ) 2 SO 2 , has been determined at 90 K using the superspace formalism. Refinement of the atomic modulation, which is of a displacive type, with wavevector q=0.780 (2)b * , has been performed in the superspace group P(I2/a): (s, -1), using main and first-order satellite reflections. A model of the distortion including zero, first- and second-order harmonics has been considered in the modulation. The final agreement factors are R= 0.042, R 0 =0.039 and R 1 =0.044 for all, main and first-order satellite reflections, respectively