Single crystal X-ray diffraction study of the HgBa2CuO4+δ superconducting compound

P. Bordet, F. Duc, S. LeFloch, J. J. Capponi, E. Alexandre, M. Rosa-Nunes, S. Putilin, E. V. Antipov

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A high precision X-ray diffraction analysis up to sin θ/λ = 1.15 of a HgBa2CuO4+δ single crystal having a Tc of ∼ 90 K is presented. The cell parameters are a = 3.8815(4), c = 9.485 (7) Å. The refinements indicate the existence of a split barium site due to the presence of excess oxygen in the mercury layer. The position of this excess oxygen might be slightly displaced from the (1/2 1/2 0) position. A 6% mercury deficiency is observed. Models, including mercury defects, substitution by copper cations, or carbonate groups, are compared. However, we obtain no definite evidence for either of the three models. A possible disorder of the Hg position, due to the formation of chemical bonds with neighbouring extra oxygen anions, could correlate to the refinements of mixed species at the Hg site. A low temperature single crystal x-ray diffraction study, and comparison of refinements for the same single crystal with different extra oxygen contents, are in progress to help clarify this problem.

Original languageEnglish
Pages (from-to)189-196
Number of pages8
JournalPhysica C: Superconductivity and its Applications
Issue number3-4
Publication statusPublished - 10 Nov 1996
Externally publishedYes


  • Single crystal
  • Structure of Hg-1201
  • X-ray diffraction


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