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The crystal structure of Na₄(UO₂)(CO₃)₃ and its relationship to schröckingerite

Department of Civil Engineering and Geological Sciences, University of Notre Dame, 156 Fitzpatrick, Notre Dame, Indiana 46556-0767, USA

^* E-mail: pburns{at}nd.edu

Crystals of the compound Na₄(UO₂)(CO₃)₃ have been synthesized and the structure has been solved. It is trigonal with a = 9.3417(6), c = 12.824(1) Å, V = 969.2(1) ų, space group Pc1 and Z = 4. The structure was refined on the basis of F² (wR2 = 4.2%) for all unique data collected using Mo-K X-radiation and a CCD-based detector. The final R1 was 2.0%, calculated for 534 unique observed (F_o 4_F) reflections, and the goodness-of-fit (S) was 0.91. The structure contains a uranyl tricarbonate cluster composed of a uranyl hexagonal bipyramid that shares three equatorial edges with CO₃ triangles. The uranyl tricarbonate clusters are connected through NaO₆ and NaO₅ polyhedra, forming a heteropolyhedral framework structure. This compound may be related to a uranyl carbonate phase with the same composition which has been reported as an alteration phase on the surface of Chernobyl ‘lava’, and as a mineral in the Jachymov ore district, Czech Republic.

KEYWORDS: uranyl carbonate, sodium uranyl carbonate, crystal structure, nuclear waste

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