PSA USING SUPERIOR ADSORBENTS

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Table 6. Extraframework atomic parameters for the Li,Ag-LSX samples from Rietveld refinements of neutron powder diffraction data. Standard uncertainties are given in parentheses. Atom Site Li(I') 32e Li(II) 32e Li(III) 96g Ag(I') 32e Ag(II') 32e Ag(II) 32e Ag(II*) 32e Ag(III) 96g Ag(III') 96g Al(ALUM 8a ) O(ALUM) 32e x=y=z Occup. B(Å2) x=y=z Occup. B(Å2) x y z Occup. B(Å2) x=y=z Occup. x=y=z Occup. x=y=z Occup. x=y=z Occup. x y z Occup. x y z Occup. x=y=z Occup. x=y=z Occup. Li95.8 Na0.2 - LSX-450 0.0455(5) 0.85(4) 0.0415 0.2227(4) 1.06(4) 0.0305 0.395(5) 0.399(5) 0.1264(2) 0.337(24) 0.1201 - - - - - - - - - - - - - - - - - - - - Li54.0 Ag41.8 Na0.2 - LSX-450 0.0403(7) 0.73(4) 0.02739 0.2228(7) 1.26(8) - - - - - - 0.0818(34) 0.058(11) - - 0.203(5) 0.062(22) 0.2560(34) 0.053(16) 0.269(5) 0.359(5) 0.123(5) 0.053(12) 0.3924(27) 0.3912(28) 0.1451(9) 0.186(7) 0.125(0) 0.037(12) 0.174(6) 0.037(12) Li93.3 Ag2.0 Na0.7 - LSX-350 0.0438(4) 0.890(31) 0.03054 0.2230(4) 1.09(4) - 0.3885(20) 0.4052(19) 0.1287(20) 0.240(16) - - - 0.1674(28) 0.053(8) - - - - - - - - - - - - - - - - Li93.3 Ag2.0 Na0.7 - LSX-450 0.0452(4) 0.915(32) 0.03325 0.2237(4) 1.09(4) - 0.401(4) 0.4038(33) 0.1260(16) 0.264(16) - - - 0.170(6) 0.029(7) - - 0.263(5) 0.029(7) - - - - - - - - - - - - Displacement parameters were fixed for each refinement as follows: Ag(I) = Ag(I') = Ag(I'') = Ag(II') = Ag(II') = Ag(III) = Al(ALUM) = O(ALUM). 110

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