J 2012

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

PLÁŠIL, Jakub; Hauser JÜRG; Václav PETŘÍČEK; Meisser NICOLAS; Stuart MILLS et al.

Základní údaje

Originální název

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

Autoři

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

Vydání

Mineralogical Magazine, London, Mineralogical Society, 2012, 0026-461X

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10302 Condensed matter physics

Stát vydavatele

Velká Británie a Severní Irsko

Utajení

není předmětem státního či obchodního tajemství

Impakt faktor

Impact factor: 2.212

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/12:00064480

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

Uranyl sulfate; crystal structure; phosphuranylite topology; Raman spectroscopy; infrared spectroscopy

Štítky

Změněno: 24. 3. 2013 12:48, doc. Mgr. Radek Škoda, Ph.D.

Anotace

V originále

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