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Bindi, L., Welch, M. D., Bonazzi, P., Pratesi, G., Menchetti, S. (2008) The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from the San Rafael mine, Sierra Gorda, Chile. Mineralogical Magazine, 72 (3) 771-783 doi:10.1180/minmag.2008.072.3.771

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Reference TypeJournal (article/letter/editorial)
TitleThe crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from the San Rafael mine, Sierra Gorda, Chile
JournalMineralogical Magazine
AuthorsBindi, L.Author
Welch, M. D.Author
Bonazzi, P.Author
Pratesi, G.Author
Menchetti, S.Author
Year2008 (June)Volume72
Issue3
PublisherMineralogical Society
DOIdoi:10.1180/minmag.2008.072.3.771Search in ResearchGate
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Mindat Ref. ID243924Long-form Identifiermindat:1:5:243924:6
GUID0
Full ReferenceBindi, L., Welch, M. D., Bonazzi, P., Pratesi, G., Menchetti, S. (2008) The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from the San Rafael mine, Sierra Gorda, Chile. Mineralogical Magazine, 72 (3) 771-783 doi:10.1180/minmag.2008.072.3.771
Plain TextBindi, L., Welch, M. D., Bonazzi, P., Pratesi, G., Menchetti, S. (2008) The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from the San Rafael mine, Sierra Gorda, Chile. Mineralogical Magazine, 72 (3) 771-783 doi:10.1180/minmag.2008.072.3.771
Abstract/NotesAbstractThe crystal structure of seeligerite, Pb3IO4Cl3, from the San Rafael mine, Sierra Gorda, Chile, was solved in the space group Cmm2, and refined to R = 3.07%. The unit-cell parameters are: a = 7.971(2), b = 7.976(2), c = 27.341(5) Å, V = 1738.3(6) Å3 and Z = 8. The crystal structure consists of a stacking sequence along [001] of square-net layers of O atoms and square-net layers of Cl atoms with Pb+ and I+ cations located in the voids of the packing. As is typical of cations with a stereoactive lone-pair of electrons, Pb2+ and I5+ adopt strongly-asymmetrical configurations. Pb2+ cations occur in a variety of coordination polyhedra, ranging from anticubes and monocapped anticubes to pyramidal ‘one-sided’ coordinations. I5+ is coordinated by a square of four oxygen atoms: I1 and I3 exhibit a ‘one-sided’ coordination, whereas I2 has square-planar coordination.The TEM investigation has revealed additional superlattice reflections (which were not registered by X-ray diffraction (XRD)) in the hk0 diffraction pattern of seeligerite based upon a 0.158 Å-1 square net, which can be interpreted as arising from a 20-cation super-sheet motif (12.6 Å x 12.6 Å), likely related to a further level of Pb-I order superimposed upon the 8-site motif identified by XRD.

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