Crystal Structure of (NbSe4)3I and (NbSe4)10/3I CDW Compounds at 14 K

M. Zubko a, J. Kusz b, A. Prodan c, J.C. Bennett d and P. Świec a aInstitute of Materials Science, University of Silesia, Chorzów, Poland bInstitute of Physics, University of Silesia, Katowice, Poland cJožef Stefan Institute, Ljubljana, Slovenia dDepartment of Physics, Acadia University, Wolfville, Canada

Full Text PDF

Both (NbSe4)3I and (NbSe4)10/3I compounds are interesting system possessing quasi one-dimensional linear chain character and exhibiting nonlinear transport properties with a second order phase transition. The compounds are built of NbSe4 antiprisms, stacked along the tetragonal c axis into chains in a screw-like arrangement. Performed X-ray low temperature single crystal diffraction measurements allowed to solve, refine and analyze crystal structures of both compounds at 14 K. While (NbSe4)10/3I compound undergoes structural phase transition to monoclinic phase, (NbSe4)3I remains in tetragonal symmetry. Iodine atoms are responsible for the differences in (NbSe4)10/3I and (NbSe4)3I structures causing different spacing in the infinite NbSe4 chains.

DOI: 10.12693/APhysPolA.130.869 PACS numbers: 61.50.Ks, 61.05.C-, 72.15.Nj, 61.72.Mm, 61.66.-f