Revealing hydrogen atoms in a highly-absorbing material: an X-ray diffraction study and Torque method calculations for lead-uranyl-oxide mineral curite

0519001 - FZÚ 2020 RIV GB eng J - Článek v odborném periodiku
Ghazisaeed, S. - Kiefer, B. - Plášil, Jakub
Revealing hydrogen atoms in a highly-absorbing material: an X-ray diffraction study and Torque method calculations for lead-uranyl-oxide mineral curite.
RSC Advances. Roč. 9, č. 18 (2019), s. 10058-10063. E-ISSN 2046-2069
Grant CEP: GA MŠMT(CZ) LO1603
Institucionální podpora: RVO:68378271
Klíčová slova: crystal structure * x-ray diffraction * hydrogen atoms * orque method calculations * Curite
Obor OECD: Geology
Impakt faktor: 3.119, rok: 2019
Způsob publikování: Open access

The crystal structure of lead uranyl-oxide hydroxy-hydrate mineral curite, ideally Pb3(H2O)2[(UO2)4O4(OH)3]2, was studied by means of single-crystal X-ray diffraction and theoretical calculations in order to localize positions of hydrogen atoms in the structure. This study has demonstrated that hydrogen atoms can be localized successfully also in materials for which the conventional approach of structure analysis failed, here due to very high absorption of X-rays by the mineral matrix.
Trvalý link: http://hdl.handle.net/11104/0304002