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
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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