Synthesis and Structural Characterization of K3Th2(PO4)3F2 and RbThPO4F2 as Potential Nuclear Waste Storage Materials |
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Authors: | Matthew Mann and Joseph Kolis |
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Institution: | (1) Department of Chemistry, Clemson University, Clemson, SC, 29634-0973, USA; |
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Abstract: | Abstract Two new alkali thorium phosphate materials, K3Th2(PO4)3F2 and RbThPO4F2, were isolated by hydrothermal synthesis at 575 °C. These structures were characterized by single crystal X-ray diffraction
using a full-matrix least squares method. The K3Th2(PO4)3F2 compound crystallizes in C2/c (No. 15) with a = 15.8179(15) ?, b = 9.8172(8) ?, c = 9.6472(9) ?, β = 121.132(7)°, Z = 4 and R
1 = 0.0329. This structure contains two large open channels possibly suitable for incorporating radioactive cesium isotopes
for waste storage. The RbThPO4F2 structure forms in the P2
1
/m (No. 11) space group with a = 6.719(4) ?, b = 6.002(3) ?, c = 7.431(5) ?, β = 113.925(19)°, Z = 2 and R
1 = 0.0359. Unique to this material is a chain of edge sharing thorium with square antiprism coordination environments where
fluorine occupies both sites along the edge. Both structures also represent the first occurrences of a fluorinated alkali
thorium phosphate material. |
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