Extending the mineralogy of U 6+ (V): Hydrogen bonding in pseudojohannite – a well-ordered structure with zippeite-type sheets and Cu II in the interlayer
Year: 2026
Type: article
Abstract: New crystallographic data are reported for pseudojohannite, Cu 3 (OH) 2 [(UO 2 ) 4 O 4 (SO 4 ) 2 ](H 2 O) 12 , from the type locality Jáchymov, Czech Republic. The structure refinement is based on a dataset collected with high redundancy (8.62) using a brilliant X-ray microfocus source, which provided sufficient quality to localize hydrogen atoms from difference-Fourier maps. The pseudojohannite crystal studied is triclinic at 100 K, with the space group P 1 quotation dash $\overline 1 $ 1 ― , with a = 8.6697(4), b = 8.8712(5), c = 9.9825(6) Å, α = 71.775(6)°, β = 70.663(5)°, γ = 76.011(5)°, with V = 679.88(7) Å 3 and Z = 1. The final refinement converged to R 1 = 0.0198 for 6029 unique reflections with I > 3σ( I ) and wR 2 = 0.0699 for all 6924 reflections. The bond-valence analysis for the structure and the determined positions of H atoms provided complete information on the nature of bonding between the [(UO 2 ) 4 O 4 (SO 4 ) 2 ] structural units and the interlayer complex in pseudojohannite. In total, there are eight transformer H 2 O groups, four non-transformer H 2 O (two of which are not directly linked to any metal cation sites), and two OH – groups. The structure formula of pseudojohannite can be written as Cu 3 (H 2 [3] O) 8 (H 2 [4] O) 2 (OH) 2 [(UO 2 ) 4 O 4 (SO 4 ) 2 ](H 2 [4] O) 2 ( Z = 1). Pseudojohannite represents a well-ordered triclinic zippeite-type structure.
Source: Mineralogical Magazine
Author: Jakub Plášil
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W7140134145
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