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Mineralogical Magazine; December 2000; v. 64; no. 6; p. 1099-1108
© 2000 Mineralogical Society of Great Britain and Ireland
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Crystal structure of Na4[Cu4O2(SO4)4]·MeCl (Me: Na, Cu, {square}) – the synthetic Na-analogue of piypite (caratiite)

V. Kahlenberg1,*, A. Piotrowski1 and G. Giester2

1 FB Geowissenschaften (Kristallographie), Universität Bremen, Klagenfurter Str., D-28359 Bremen, Germany
2 Institut für Mineralogie und Kristallographie, Universität Wien, Althanstr. 14, A-1090 Wien, Austria

* E-mail: vkahlen{at}min.uni-bremen.de

The crystal structure of Na4[Cu4O2(SO4)4]·MeCl (Me: Na,Cu,{square}) has been solved by direct methods and refined to R1 = 0.028 using 2466 independent reflections. The compound is tetragonal with space group P4/n, a = 18.451(1) Å, c = 4.9520(2) Å, Z = 4. The two main building units running parallel to the c-axis comprise: (1) slabs containing SO4 and OCu4 tetrahedra; and (2) chains of corner sharing Me(Cl,O)6 octahedra. The displacement ellipsoids of the atoms occupying the Me sites and of the Cl ions indicate a short-range static disorder. Copper in the slabs exhibits a (4+1) coordination. Both elements form a tunnel structure in which additional Na atoms are incorporated for charge compensation. The structure is closely related to the mineral piypite (K4Cu4O2(SO4)4·MeCl (Me: Na,Cu,{square})): Formula; c {approx} cpiy.. Furthermore, the structure has a pronounced pseudo-translational symmetry: apart from some of the oxygen sites, all of the nineteen crystallographically distinct positions are related by a pseudo F centring.

KEYWORDS: piypite (caratiite), crystal structure






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