Crystal structure of Pb10O7(OH)2F2(SO4) and crystal chemistry of lead oxysulfate minerals and inorganic compounds
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Sergey V. Krivovichev
Abstract
The crystal structure of Pb10O7(OH)2F2(SO4) (triclinic, P1̅, a = 9.6637(16), b = 10.1922(17), c = 11.1407(18) Å, α = 110.978(3), β = 91.795(3), γ = 107.020(3)°, V = 968.2(3) Å3) has been solved by direct methods and refined to R1 = 0.050 (wR = 0.089). There are ten symmetrically unique Pb2+ cations in the structure all of which have highly asymmetric coordination polyhedra owing to presence of stereoactive 6s2 lone pairs of electrons. The structure is based upon [O7Pb10] zigzag chains of edge-sharing OPb4 oxocentered tetrahedra. The observed [O7Pb10] chain is the most complex chain of oxocentered tetrahedra known so far and was not observed previously in structures of inorganic compounds. The chains run along [011] and their plane is parallel to (111). The chains form sheets parallel to (111). The SO4) tetrahedra, F– anions and OH groups are between the sheets providing their linkage into three-dimensional structure. A comparison of the structure with other Pb oxysulfates is given in the framework of theory of complexes of anion-centered tetrahedra.
© 2002 Oldenbourg Wissenschaftsverlag GmbH
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