Refinement of the crystal structures of Cu6O8InCl and Cu6 O8Cu2Cl by neutron powder diffraction

Hiroshi Hayakawa, Etsuo Akiba, Shuitiro Ono, Hideo Ihara, Fujio Izumi, Hajime Asano

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


Two titled compounds which have different structures have been synthesized by heating mixtures of hydrates of copper (II) nitrate and copper (II) chloride, or indium nitrate. Their crystal structures have been refined by the Rietveld method using neutron powder diffraction data. Cu6O8InCl is a stoichiometric compound and has a murdochite-like structure. The crystal structure of Cu6O8Cu2Cl is essentially the same as that of Cu6O8InCl except Cu sites corresponding to the In sites. The cu atoms are not located at the In site (2b) in the cube, but distributed among 6 equivalent sites (24e) around the center of the oxygen cube with an occupation factor of about 0.29.

Original languageEnglish
Pages (from-to)745-751
Number of pages7
JournalNippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan
Issue number1175
Publication statusPublished - 1993
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry


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