Natural djurleite with refined composition Cu61.39S32 revealing disorder of some Cu sites.

Abstract

A djurleite crystal was discovered from a natural sample originally labelled as chalcocite. The djurleite crystal under investigation has a refined composition of Cu_61.39S₃₂, thus revealing a Cu deficiency compared to the originally reported Cu₆₂S₃₂ phase [Evans (1979). Z. Kristallogr. 150, 299-320], where all atomic sites are reported to be fully occupied. In addition, the current refinement revealed a splitting of eight of the Cu sites into pairs.