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Crystal structure and formula revision of deliensite, Fe[(UO2)2(SO4)2(OH)2](H2O)7

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PLÁŠIL Jakub JÜRG Hauser PETŘÍČEK Václav NICOLAS Meisser MILLS Stuart ŠKODA Radek KARLA Fejfarová ČEJKA Jiří SEJKORA Jiří HLOUŠEK Jan JEAN-MARC Johannet VLADIMÍR Machovič LADISLAV Lapčák

Rok publikování 2012
Druh Článek v odborném periodiku
Časopis / Zdroj Mineralogical Magazine
Fakulta / Pracoviště MU

Přírodovědecká fakulta

Citace
Doi http://dx.doi.org/10.1180/minmag.2012.076.7.14
Obor Fyzika pevných látek a magnetismus
Klíčová slova Uranyl sulfate; crystal structure; phosphuranylite topology; Raman spectroscopy; infrared spectroscopy
Popis The crystal structure of deliensite, Fe[(UO2)2(SO4)2(OH)2](H2O)7, was solved by direct methods and refined to R1 = 6.24% for 5211 unique observed reflections [Iobs greater than 3sigma(I)], on a crystal that was found to consist of rotational and inversion (merohedral) twins, from Jeroným mine, Abertamy in the Czech Republic. The presence of four twin domains was taken into account in the refinement. The structure is orthorhombic, space group Pnn2, with unit-cell parameters a = 15.8514(9), b = 16.2478(7), c = 6.8943(3) A, V = 1775.6(1) A^3 and Z = 4. The crystal structure of deliensite contains uranyl-sulfate sheets with a phosphuranylite topology, consisting of dimers of edge-sharing uranyl pentagonal bipyramids linked by corner-sharing with sulfate tetrahedra. The sheets lie in the (100) plane and are decorated by [Fe2+O(H2O)5] octahedra; two weakly bonded H2O molecules are present in the interlayer. The [Fe2+O(H2O)5] octahedron is linked directly to the sheet via the uranyl oxygen atom. Adjacent sheets are linked by hydrogen bonds only. The sheet topology and geometrical isomerism is discussed and a comparison of the composition obtained from electron-probe microanalysis, powder-diffraction data, Raman and infrared spectra of deliensite samples from Mas d'Alary, Lodeve, France; L'Ecarpiere mine, Gétigné, France; and several localities at Jáchymov, Western Bohemia, Czech Republic is made

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