The crystal structure of choloalite, (Cu2.79Sb0.21)(Sigma 3.00)(Pb2.70Ca0.30)(Sigma 3.00)Te6.00O18.00Cl0.92, a 12.520(4) Angstrom, V 1963(2) Angstrom(3), space group P4(1)32, Z = 4, has been solved by Patterson and direct methods, and refined to an R index of 5.3% based on 956 unique reflections measured using MoKa radiation on an automated four-circle diffractometer. The structure consists of distorted TeO6 octahedra, Cu phi(5) square pyramids (where phi = 0 and Cl), Pb(1)O-9 triaugmented trigonal prisms. and Pb(2)O-12 icosahedra. The Pb(1)O-9 polyhedra polymerize to form a three-dimensional network, as do the Cu phi(5) square pyramids and Pb(2)O-12 polyhedra. The two networks fit together in three-dimensional space, leaving voids that are filled by the TeO6 octahedra. it is likely that the ideal formula of choloalite is CuPbTe24+O6, with CuO4 square planes as opposed to Cu phi(5) square pyramids.
The crystal structure of dugganite, ideally Pb3Zn3Te6+As2O14, a 8.460(2), c 5.206(2) Angstrom, V 322.6(2) Angstrom(3), space group P321, Z = 1, has been solved by direct methods and Patterson techniques, and refined to an R index of 2.7% based on 636 unique reflections measured using MoK alpha radiation on an automated four-circle diffractometer. The structure consists of heteropolyhedral sheets of edge-sharing TeO6 octahedra and PbO8 snub disphenoids, oriented parallel to (001). The sheets are cross-linked by AsO4 and ZnO4 tetrahedra, which share corners to form an interlinked, two- and three-connected two-dimensional net parallel to (001). Cheremnykhite and kuksite are considered to be isostructural with dugganite, but with V and P respectively dominant at the As site.
The crystal structure of wickenburgite, Pb3CaAl2Si10O27(H2O)(3), a 8.560(3), c 20.190(6) Angstrom, V 1281.2(9) Angstrom(3), space group P31c, Z = 2, has been solved by direct methods and refined to an R index of 3.1% based on 1042 unique reflections measured with MoK alpha X-radiation on an automated four-circle diffractometer. There is one unique Pb2+ position coordinated by eight anions, four in the range 2.30-2.53 Angstrom and four in the range 2.97-3.36 Angstrom; bond-valence considerations indicate that all of these interactions must be considered to be bonds. The four close anions all lie on one side of the Pb2+ cation, indicating stereoactive lone-pair behavior. There are six distinct Si positions, all tetrahedrally coordinated by oxygen atoms, one Ca position octahedrally coordinated by three oxygen atoms and three (H2O) groups, and two distinct Al positions, one octahedrally coordinated and the other tetrahedrally coordinated. Two sheets of stoichiometry [CaSi5 phi(17)] and [AlSi5 phi(15)] link by sharing tetrahedron vertices to form a thick slab orthogonal to [001], and further intrasheet linkage is provided by hydrogen bonding. Intercalated between these slabs are interrupted sheets of corner- and edge-sharing (Pb phi(8)) and (Al phi(6)) polyhedra. The strong bonding within the thick slabs and the weaker interslab linkage provided by the Al-[6] and Pb-[8] account for the {001} cleavage of wickenburgite.