The crystal structure of caratiite | Mineralogical Magazine | Cambridge Core (original) (raw)

Abstract

The crystal structure of caratiite, K4Cu4O2 (SO4)4MeCl (a 13.60(2), c 4.98(1) Å, Z = 2) was solved in space group I4 from single crystal data, and refined to R = 0.035 for 654Fo > 6σ(Fo). The atomic arrangement is characterized by Cu2O(SO4)2 chains parallel to [001], with Cu in (4 + 1) co-ordination and O surrounded tetrahedrally by four Cu atoms. These chains are interconnected by K atoms to a framework, the channels of which house the Me and Cl atoms. The nature of the Me atoms is not completely clear; most probably the position is half occupied by Cu, fully occupied by Na, or occupied by a mixture of the two.

Type

Research Article

References

Cocco, G., Fanfani, L., and Zanazzi, P. F. (1972) In Handbook of Geochemistry, Vol. II-2 (Wedepohl, K. H., ed.) 19-A-1-A-9. Springer Verlag: Berlin, Heidelberg, New York.Google Scholar

International Tables for X-ray Crystallography (1974) Vol. IV (Ibers, J. A. and Hamilton, W. C., eds.) The Kynoch Press.Google Scholar

Prewitt, C. T. (1966) SFLS-5. Structure Factor Least- Squares Program (Unpublished).Google Scholar

Sheldrick, G. M. (1976) SHELX-76. Programme fuer die Strukturbestimmung. Univ. Cambridge, England.Google Scholar

Sheldrick, G. M. (1962) Structural Inorganic Chemistry. Clarendon Press, Oxford.Google Scholar

Wuensch, B. J. (1972) In Handbook of Geochemistry, Vol. II-2 (Wedepohl, K. H., ed.) 16-A-1-A-19. Springer Verlag: Berlin, Heidelberg, New York.Google Scholar

Zachariasen, W. H. (1972) in Handbook of Geochemistry, Vol. II-3 (Wedepohl, K. H., ed.), 29-A-1-A-13. Springer Verlag: Berlin, Heidelberg, New York.Google Scholar