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@article{1174110,
author = {Fejfarová, Karla and Dušek, Michal and Plášil, Jakub and Čejka, Jiří and Sejkora, Jiří and Škoda, Radek},
article_number = {1-3},
doi = {http://dx.doi.org/10.1016/j.jnucmat.2010.11.064},
keywords = {uranyl silicate; kasolite; crystal structure; spent nuclear fuel},
language = {eng},
issn = {0022-3115},
journal = {JOURNAL OF NUCLEAR MATERIALS},
title = {Reinvestigation of the crystal structure of kasolite, Pb[(UO2)(SiO4)](H2O), an important alteration product of uraninite, UO2+x},
volume = {434},
year = {2013}
}
TY - JOUR
ID - 1174110
AU - Fejfarová, Karla - Dušek, Michal - Plášil, Jakub - Čejka, Jiří - Sejkora, Jiří - Škoda, Radek
PY - 2013
TI - Reinvestigation of the crystal structure of kasolite, Pb[(UO2)(SiO4)](H2O), an important alteration product of uraninite, UO2+x
JF - JOURNAL OF NUCLEAR MATERIALS
VL - 434
IS - 1-3
SP - 461-467
EP - 461-467
PB - North Holland
SN - 00223115
KW - uranyl silicate
KW - kasolite
KW - crystal structure
KW - spent nuclear fuel
N2 - The crystal structure of kasolite, Pb[(UO2)(SiO4)](H2O), Z = 4, monoclinic, with a = 6.7050(3), b = 6.9257(2), c = 13.2857(5) angstrom, beta = 105.064(4)degrees, V = 595.74(3) angstrom(3), the space group P2(1)/c, has been solved by charge-flipping method and refined by the full-matrix least-squares techniques to an agreement factor (R-obs) of 2.2% and, a goodness-of-fit (GOF) of 1.26 using 1243 unique observed diffraction maxima (I-obs > 3 sigma(I)) collected with MoK alpha X-radiation and a 4 K CCD area detector. The crystal structure of kasolite contains 1 unique U6+ position that is part of a nearly linear uranyl ion (UO2)(2+), coordinated in the equatorial plane by five 0 ligands, forming pentagonal bipyramid. The uranyl pentagonal bipyramids share edges to form chains parallel to [0 1 0]. The additional edge of uranyl polyhedra is shared by silicate tetrahedra to form sheets parallel to (1 0 0). There is one unique position of Pb2+ in the interlayer. O ligands and 1 (H2O) non-transformer group coordinate Pb2+ exhibiting [2 + 6] coordination. A network of H-bonds provides an additional linkage of an interlayer to the sheets besides Pb-O bonds. Chemical composition of the studied crystals, obtained by the electron microprobe, is reported and is in agreement with the crystal structure refinement. (C) 2010 Elsevier B.V. All rights reserved.
ER -
FEJFAROVÁ, Karla, Michal DUŠEK, Jakub PLÁŠIL, Jiří ČEJKA, Jiří SEJKORA a Radek ŠKODA. Reinvestigation of the crystal structure of kasolite, Pb[(UO2)(SiO4)](H2O), an important alteration product of uraninite, UO2+x. \textit{JOURNAL OF NUCLEAR MATERIALS}. North Holland, 2013, roč.~434, 1-3, s.~461-467. ISSN~0022-3115. Dostupné z: https://dx.doi.org/10.1016/j.jnucmat.2010.11.064.
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