Crystal chemistry of HgBa2CaCu2O8+δ and HgBa2Ca2Cu3O8+δ single-crystal x-ray diffraction results

L. W. Finger, R. M. Hazen, R. T. Downs, R. L. Meng, C. W. Chu

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Crystal structures of HgBa2CaCu2O6+δ (Hg-1212) and HgBa2Ca2Cu3O8+δ (Hg-1223) have been determined on single crystals at room temperature conditions by X-ray diffraction techniques. Both tetragonal specimens are isomorphous with compounds in the Tl-Ba-Ca-Cu-O system. We observe excess oxygen in both samples on two sites near the z=0 plane: at ( 1 200) and close to ( 1 2, 0.4, 0) - but no oxygen at ( 1 2 1 20) as reported in earlier studies. Refined Hg occupancies for both samples indicate a substitution of Cu for Hg of more than ten percent. If the substitution of Cu for Hg and excess O at ( 1 200) are coupled, then the effect is to insert a perovskite-like six-coordinated copper site at (000). No evidence was found for a split atom at the barium sites in these compounds.

Original languageEnglish
Pages (from-to)216-221
Number of pages6
JournalPhysica C: Superconductivity and its applications
Issue number3-4
Publication statusPublished - 1994 Jun 10

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Energy Engineering and Power Technology
  • Electrical and Electronic Engineering


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