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Fd3(203) were based upon the model determined by Feuerstein and Lobo (1998) for Li- LSX. In this refinement, since the material is an aluminum saturated zeolite, T(1) is modeled as a pure Si site and T(2) is modeled as a pure Al site. The isotropic atomic displacement parameters were grouped, using one value for framework T atoms, a second value for framework O atoms, and a third for extraframework cations. Details concerning the location of extraframework cations for each material and the final stages of refinement are given in the following sections. The results of the Rietveld refinement are given in Tables 4 - 8. The results of the Rietveld refinements are summarized in Table 4. Positional coordinates, occupancies, and atomic displacement parameters for each sample are listed in Tables 5 and 6. Selected bond lengths (Å) and angles (degrees) are given in Table 7 and Table 8. A comparison of the cation site occupancies determined in this study is given in Table 9. Li95.8Na0.2-LSX Structure The results of the Rietveld refinement for this near-fully Li-exchanged zeolite are shown in Table 4. The agreement of the experimental and the refined model were quite good (χ2 = 1.352) and agreed very well with results reported from a previous study by Feuerstein and Lobo (1998). Almost all of the lithium cations were located (93.5 of the 95.8 expected). The lithium cations were located in the six-ring sites, SI′ and SII, and in the supercage 4-ring SIII site. A slight over-population was located at the SII site (33.9 cations); this was also the case with the study by Feuerstein and Lobo (1998). Lithium cations in the site SII were at a distance of 1.97Å from the closest framework oxygen (i.e., Li(II)_O(2) = 1.97Å). This short distance allows the cation to sit very deep in the face of the six-ring, effectively shielding the electrostatic energy of the 93PDF Image | PSA USING SUPERIOR ADSORBENTS
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