Crystal structure refinement of Cu6O8YCl by powder neutron diffraction

Kenji Kawashima, Kazumasa Horigane, Kenji Ohoyama, Jun Akimitsu

Research output: Contribution to journalConference articlepeer-review

1 Citation (Scopus)


We report the crystal structure parameters of clathrate-type copper-oxide Cu6O8YCl, which belongs to the Cu6O8MX (M cation, X anion) family, investigated by the powder neutron diffraction technique and the Rietveld method. The crystal structure of Cu6O8YCl was identified to be a cubic structure with the space group Fmm. The Cl atom is located at the 4a site, which is the center position of the Cu6O8 cage, and the Y atom occupies the 4b site in the cuboid space. The Y and Cl atoms have anomalously large atomic displacement parameters (Uiso) at room temperature, which suggests that Y and Cl atoms respectively present in a cuboid and in a Cu6O8 cage exhibit intensive motion such as rattling, as recently observed for clathrate compounds.

Original languageEnglish
Article number012129
JournalJournal of Physics: Conference Series
Issue number1
Publication statusPublished - 2012
Externally publishedYes
EventInternational Conference on Strongly Correlated Electron Systems, SCES 2011 - Cambridge, United Kingdom
Duration: Aug 29 2011Sept 3 2011

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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