The structure of CuGeO 3 has been analyzed by means of x-ray and neutron single-crystal diffraction as a function of temperature. There is a pronounced temperature dependency of the atomic positions in the hightemperature Pbmm phase. The observed deformation scheme on cooling from 295 to 20 K may be characterized by a rotation of the Cu͓O͑2͔͒ 2 ribbons around the c axis. It is related to the distortion below the spin-Peierls transition, and has an impact on the magnetic interaction parameter J. For the distorted structure in the spin-Peierls phase, based on a large set of superstructure reflections, we qualitatively confirm the proposed model ͑space group Bbcm͒ with a slightly different direction of the oxygen displacements. A computation of J reveals that its splitting in the spin-Peierls phase is dominated by the modulation of the Cu-O-Cu bond angle.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.