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Zeitschrift für Kristallographie - Crystalline Materials

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Huppertz, Hubert / Petrícek, Václav / Pöttgen, Rainer / Schmahl, Wolfgang / Tiekink, E. R. T. / Zou, Xiaodong

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The crystal chemistry of diaboleite*

Roland C. Rouse

Citation Information: Zeitschrift für Kristallographie. Volume 134, Issue 1-2, Pages 69–80, ISSN (Online) 0044-2968, ISSN (Print) 1433-7266, DOI: 10.1524/zkri.1971.134.1-2.69, July 2010

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Diaboleite, Pb2Cu(OH)4Cl2, is tetragonal, P4mm, with a = 5.870 Å and c = 5.494 Å. The structure has been refined by the method of least squares to a conventional R value of 5.0%. Diaboleite is a derivative of the cubic perovskite structure, ABO3, with Cu and possibly Cl vacancies. The perovskite-like subcell has dimensions A = a/√2 = 4.151 Å and C = c = 5.494 Å and the formula PbCu1/2(OH)2Cl or AB1/2O3. Cu(II) is coordinated by a square pyramid of 4 OH + 1 Cl and Pb(II) by a distorted square antiprism of 4 OH + 4 Cl. Structural distortions are interpreted in terms of Pb–Cu repulsions and the second-order Jahn-Teller effect.

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