Abstract
Two crystal structures of dehydrated $Sr^{2+}\;and\;Tl^+$ exchanged zeolite A, $Sr_xTl_{12-2x}-A$ (x = 1.6 and 5.45), have been determined by single-crystal X-ray diffraction techniques. Their structures were solved and refined in the cubic space group Pm3m at $21(1)^{\circ}C.$ Both crystals were ion exchanged in flowing streams of mixed $Sr(NO_3)_2\;and\;TlNO_3$ aqueous solution, followed by dehydration at $360^{\circ}C\; and\; 2${\times}$10^{-6}$ Torr for 2 days. Full-matrix least-squares refinements of the dehydrated $Sr_{1.6}Tl_{8.8}-A (a = 12.214(2){\AA})\; and\;Sr_{5.45}Tl{1.1}-A (a=12.291(2){\AA})$ have converged to final error indices, $R_1=0.055\; and\;R_2=0.061$ with 286 reflections, and R1 = 0.072 and R2 = 0.090 with 217 reflections, respectively, for which$\;I\;{>}\;3{\sigma}(I)$. In both structures, all Sr(II) ions are coordinated by three framework oxygens; Sr(II) to O(3) distances are $2.21(2){\AA}\;for\;Sr_{1.6}Tl_{8.8}-A \;and\;2.31(1){\AA} \;for\;Sr_{5.45}Tl_{1.1}-A,$and Tl(I) to O(3) distances are $2.657(6){\AA}\;for\;Sr_{1.6}Tl_{8.8}-A\;and\;2.845(8){\AA}\;for\;Sr_{5.45}Tl_{1.1}-A,$ respectively. In each structure, the angle subtended at Sr(II), O(3)-Sr(II)-O(3) is $118.7(4)^{\circ}\;for\; Sr_{1.6}Tl_{8.8}-A \;and\;120.0(4)^{\circ}\;for\;Sr_{5.45}Tl_{1.1}-A.\;Sr^{2+}$ ions prefer to 6-ring sites and $Tl^+$ ions to 8-ring sites when total number of ions per unit cell is more than 8.