Crystal structure of the uranyl arsenate mineral hügelite, Pb2(UO2)3O2(AsO4)2(H2O)5, revisited: a correct unit cell, twinning and hydrogen bonding

. 2021 Jun 01 ; 77 (Pt 3) : 378-383. [epub] 20210514

Status PubMed-not-MEDLINE Jazyk angličtina Země Anglie, Velká Británie Médium print-electronic

Typ dokumentu časopisecké články

Perzistentní odkaz   https://www.medvik.cz/link/pmid34096520

Grantová podpora
20-11949S Czech Science Foundation (GACR 20-11949S)
DKRVO 2019-2023/1.II.c Ministry of Culture of the Czech Republic

Revisiting the structure of uranyl arsenate mineral hügelite provided some corrections to the available structural data. The previous twinning model (by reticular merohedry) in hügelite has been corrected. Twinning of the monoclinic unit cell [a = 7.0189 (7) Å, b = 17.1374 (10) Å, c = 8.1310 (10) Å and β = 108.904 (10)°], which can be expressed as a mirror in [100], leads to a pseudo-orthorhombic unit cell (a = 7.019 Å, b = 17.137 Å, c = 61.539 Å and β = 90.02°), which is eight times larger, with respect to the unit-cell volume, than a real cell. Moreover, the unit cell of chosen here and the unit cell given by the previous structure description both lead to the same supercell. A new structure refinement undertaken on an untwinned crystal of hügelite resulted in R = 4.82% for 12 864 reflections with Iobs > 3σ(I) and GOF = 1.12. The hydrogen-bonding scheme has been proposed for hügelite for the first time.

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