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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 23, Number 12
BKCSDE 23(12)
December 20, 2002 

Two Crystal Structures of Ag + -and Tl + -Exchanged Zeolite X, Ag27Tl65-X and Ag23Tl69-X
Soo Yeon Kim, Eun Young Choi, Yang Kim
Zeolite X, Structure, Silver, Thallium
Two crystal structures of dehydrated Ag+- and Tl+ -exchanged zeolite X (Ag27Tl65-X and Ag23Tl69-X) have been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd at 21(1)℃ (a =24.758(4) Å, a = 24.947(4)Å, respectively). Their structures were refined to the final error indices R1 = 0.055 and wR2 = 0.057 with 375 reflections, and R1 = 0.058 and wR2 = 0.057 with 235 reflections, respectively, for which I > 3 σ(I). In the structure of Ag27Tl65-X, 27 Ag+ ions were found at two crystallographic sites: 15 Ag+ ions at site I at the center of the hexagonal prism and the remaining 12 Ag+ ions at site Ⅱ' in the sodalite cavity. Sixty-five Tl+ ions were located at three crystallographic sites: 20 Tl+ ions at site Ⅱ opposite single six-rings in the supercage, 18 Tl+ ions at site I' in the sodalite cavity opposite the D6Rs, and the remaining 27 Tl+ ions at site Ⅲ' in the supercage. In the structure of Ag23Tl69-X, 23 Ag+ ions were found at two crystallographic sites: 15 at site I and 8 at site Ⅱ'. Sixty-nine Tl+ ions are found at four crystallographic sites: 24 at site Ⅱ, 17 at site I', and the remaining 28 at two Ⅲ' sites with occupancies of 22 and 6.
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