Djurleite (Cu$_{1.94}$S) and Low Chalcocite (Cu$_{2}$S): New Crystal Structure Studies

Additional x-ray structure studies on low chalcocite generally confirm the previously reported structure but show that either disorder is present or the true space group is not P2$_{1}$/c but Pc, four of the 96 copper atoms in the monoclinic unit cell taking on twofold (linear) coordination. The cry...

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Published inScience (American Association for the Advancement of Science) Vol. 203; no. 4378; pp. 356 - 358
Main Author Evans, Howard T.
Format Journal Article
LanguageEnglish
Published United States American Association for the Advancement of Science 26.01.1979
Subjects
Atoms
Chemical composition
Coordination numbers
Copper
Crystal structure
Crystals
Minerals
Photovoltaic cells
Sulfur
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Summary:Additional x-ray structure studies on low chalcocite generally confirm the previously reported structure but show that either disorder is present or the true space group is not P2$_{1}$/c but Pc, four of the 96 copper atoms in the monoclinic unit cell taking on twofold (linear) coordination. The crystal structure of djurleite has been solved in space group P2$_{1}$/n, the monoclinic cell having parameters a = 26.897, b = 15.745, and c = 13.565 angstroms; β = 90.13°; and a content of 248 copper and 128 sulfur atoms. Of the 62 different copper atoms in the structure, 52 are in threefold, traingular coordination with sulfur, nine in tetrahedral, and one in linear coordination.
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ISSN:0036-8075
1095-9203
DOI:10.1126/science.203.4378.356