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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 16, Number 6
BKCSDE 16(6)
June 20, 1995 

Chemistry and Crystallographic Studies of Metal Ion Exchanged Zeolite X. I. The Crystal Structure of Fully Dehydrated and Fully K+-Exchanged Zeolite X, K92-X
Se Bok Jang, Yang Kim*
The crystal structure of K92-X (K92Al92Si100O384), a=25.128(1) Å, dehydrated at 360 ℃ and 2X 10-6 Torr, has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd&bar{3} at 21(1) ℃. The structure was refined to the final error indices R1=0.044 and Rw=0.039 with 242 reflections for which I<3σ(I). In this structure, ninety-two K+ ions are located at the five different crystallographic sites. Sixteen K+ ions are located at the centers of the double six rings (site I; K(1)-O(3)=2.65(2) Å and O(3)-K(1)-O(3)=92.0(6)°). About twelve K+ ions lie at site I' in the sodalite cavity opposite double six rings (D6R's) and these K+ ions are recessed ca. 1.62 Å into the sodalite cavity from their O(3) plane (K(2)-O(3)=2.74(2) Å, O(3)-K(2)-O(3)=88.5(8)°). About thirty-two K+ ions are located at the site II in the supercage and these K+ ions are recessed ca. 1.20 Å into the supercage from their O(2) plane (K(3)-O(2)=2.64(2) Å, and O(2)-K(3)-O(2)=101(1)° ). About twenty-two K+ ions lie at the site III in the supercage opposite 4-ring ladder and the remaining ten K+ ions lie at the site III' near the 4-ring ladder in the supercage (K(4)-O(4)=2.88(3) Å, O(4)-K(4)-O(4)=79.8(9)°, K(5)-O(4)=2.8(2) Å, and O(4)-K(5)-O(4)=68(5)°).
539 - 542
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