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THE CRYSTAL STRUCTURE OF SYNTHETIC GRIMSELITE, K₃Na[(UO₂)(CO₃)₃](H₂O)

Yaping Li and Peter C. Burns

Department of Civil Engineering and Geological Sciences, University of Notre Dame, 156 Fitzpatrick Hall, Notre Dame, Indiana 46556-0767, U.S.A.

E-mail address: pburns{at}nd.edu

Crystals of grimselite, K₃Na[(UO₂)(CO₃)₃](H₂O), were synthesized by room-temperature evaporation of an aqueous solution. The structure of grimselite is hexagonal, a 9.302(2), c 8.260(3) Å, V 618.9(3) ų, space group P2c, Z = 2. The crystal structure was refined on the basis of F² for all 546 unique reflections measured using MoK X-radiation and a CCD-based detector to an R1 of 2.55%, calculated using the 459 unique observed reflections with F_o 4_F. Consistent with other uranyl carbonates with a U : C ratio of 1 : 3, the structure of grimselite contains the uranyl tricarbonate cluster [(UO₂)(CO₃)₃], which consists of a uranyl hexagonal bipyramid that shares three equatorial edges with (CO₃) triangles. The uranyl tricarbonate clusters are oriented perpendicular to [001] and are interconnected through bonds to Na and K polyhedra.

Keywords: uranyl carbonate, grimselite, crystal structure.

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