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.

The mineral conichalcite from the western part of Bagdad mine, Bagdad, Eureka District, Yavapai County, Arizona, USA has been characterized by electronic, near-infrared (NIR), Raman and infrared (IR) spectroscopy. Scanning electron microscopy (SEM) images show that the mineral consists of bundles of fibres. Calculations based on the results of the energy dispersive X-ray analyses on a stoichiometric basis show the substitution of arsenate by 12 wt.% of phosphate in the mineral. Raman and IR bands are assigned in terms of the fundamental modes of AsO43− and PO43− molecules and are related to the mineral structure. Near-IR reflectance spectroscopy shows the presence of adsorbed water and hydroxyl units in the mineral. The Cu(II) coordination polyhedron in conichalcite can have at best pseudo-tetragonal geometry. The crystal field and tetragonal field parameters of the Cu(II) complex were calculated and found to agree well with the values reported for known tetragonal distortion octahedral complexes.