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The crystal chemistry of duftite, PbCuAsO4(OH) and the β-duftite problem

Published online by Cambridge University Press:  05 July 2018

Kharisun ,
Max R. Taylor ,
D. J. M Bevan  and
Allan Pring
Kharisun
Affiliation:
Department of Chemistry, The Flinders University of South Australia, GPO Box 2100 Adelaide, S. A. 5001, Australia
Max R. Taylor
Affiliation:
Department of Chemistry, The Flinders University of South Australia, GPO Box 2100 Adelaide, S. A. 5001, Australia
D. J. M Bevan
Affiliation:
Department of Chemistry, The Flinders University of South Australia, GPO Box 2100 Adelaide, S. A. 5001, Australia
Allan Pring
Affiliation:
Department of Mineralogy, South Australian Museum, North Terrace, S. A. 5000, Australia
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Abstract

Duftite, PbCu(AsO4)(OH) is orthorhombic, space group P212121 with a = 7.768(1), b = 9. 211(1), c = 5.999(1) Å, Z = 4; the structure has been refined to R = 4.6% and Rw = 6.5% using 640 observed reflections [F> 2σ(F)]. The structure consists of chains of edge-sharing CuO6 ‘octahedra’, parallel to c; which are linked via AsO4 tetrahedra and Pb atoms in distorted square antiprismatic co-ordination to form a three dimensional network. The CuO6 ‘octahedra’ show Jahn-Teller distortion with the elongation running approximately along <627>. The hydrogen bonding network in the structure was characterized using bond valence calculations. ‘β-duftite’ is an intermediate in the duftite-conichalcite series, which has a modulated structure based on the intergrowth of the two structures in domains of approximately 50 Å. The origin of the modulation is thought to be associated with displacements in the oxygen lattice and is related to the orientation of the Jahn-Teller distortion of CuO6 ‘octahedra’. Approximately half of the strips show an elongation parallel to <627> while the other strips are elongated parallel to [010]. This ordering results in an increase in the b cell repeat compared to duftite and conichalcite.

Keywords

duftiteconichalcitecrystal structurecrystal chemistrymodulated structure
Type
Research Article
Information
Mineralogical Magazine , Volume 62 , Issue 1 , February 1998 , pp. 121 - 130
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 1998

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Footnotes

*

Permanent address: Fakultas Pertanian, Universitas Djenderal Soedirman, P.O. Box 125, Purwokerto 53123, Jawa-Tengah, Indonesia

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