Single-crystal structure of fully dehydrated and largely NH(4)(+)-exchanged zeolite Y (FAU, Si/Al=1.70), vertical bar(NH(4))(60)Na(11)vertical bar[Si(121)Al(71)O(384)]-FAU

Seo, Sung Man, Kim, Ghyung Hwa, Kim, Young Hun, Wang, Lianzhou, Lu, Gao Qing and Lim, Woo Taik (2009) Single-crystal structure of fully dehydrated and largely NH(4)(+)-exchanged zeolite Y (FAU, Si/Al=1.70), vertical bar(NH(4))(60)Na(11)vertical bar[Si(121)Al(71)O(384)]-FAU. Bulletin of the Korean Chemical Society, 30 3: 543-550. doi:10.5012/bkcs.2009.30.3.543

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Author Seo, Sung Man
Kim, Ghyung Hwa
Kim, Young Hun
Wang, Lianzhou
Lu, Gao Qing
Lim, Woo Taik
Title Single-crystal structure of fully dehydrated and largely NH(4)(+)-exchanged zeolite Y (FAU, Si/Al=1.70), vertical bar(NH(4))(60)Na(11)vertical bar[Si(121)Al(71)O(384)]-FAU
Formatted title
Single-crystal structure of fully dehydrated and largely NH4+-exchanged zeolite Y (FAU, Si/Al = 1.70), |(NH4)60Na11|[Si121Al71O384]-FAU
Journal name Bulletin of the Korean Chemical Society   Check publisher's open access policy
ISSN 0253-2964
1225-0058
1229-5949
Publication date 2009-03-20
Year available 2009
Sub-type Article (original research)
DOI 10.5012/bkcs.2009.30.3.543
Open Access Status DOI
Volume 30
Issue 3
Start page 543
End page 550
Total pages 8
Editor Yoon Sup Lee
Place of publication Seongbuk-gu, Seoul, Korea
Publisher Korean Chemical Society
Language eng
Subject C1
100708 Nanomaterials
970109 Expanding Knowledge in Engineering
Abstract The single-crystal structure of largely ammonium-exchanged zeolite Y dehydrated at room temperature (293 K) and 1 x 10(-6) Torr. has been determined using synchrotron X-radiation in the cubic space group Fd (3) over barm (a 24.9639(2) angstrom) at 294 K. The structure was refined to the final error index R-1 = 0.0429 with 926 reflections where F-o > 4 sigma(F-o); the composition (best integers) was identified as vertical bar(NH4)(60)Na-11 vertical bar[Si121Al71O384]-FAU. The 11 Na+ ions per unit cell were found at three different crystallographic sites and 60 NH4+ ions were distributed over three sites. The 3 Na+ ions were located at site I, the center of the hexagonal prism (Na-O = 2.842(5) angstrom and O-Na-O = 85.98(12)degrees). The 4 Na+ and 22 NH4+ ions were Pound at site I' in the sodalite cavity opposite the double 6-rings, respectively (Na-O = 2.53(13) angstrom, O-Na-O = 99.9(7)degrees, N-O = 2.762(11) angstrom, and O-N-O = 89.1(5)degrees). About 4 Na+ ions occupied site II (Na-O = 2.40(4) angstrom and O-Na-O = 108.9(3)degrees) and 29 NH4+ ions occupy site II (N-O = 2.824(9) angstrom and O-N-O = 87.3(3)degrees) opposite to the single 6-rings in the supercage. The remaining 9 NH4+ ions were distributed over site III' (N-O = 2.55(3), 2.725(13) angstrom and O-N-O = 94.1(13), 62.16(15), 155.7(14)degrees).
Formatted abstract
The single-crystal structure of largely ammonium-exchanged zeolite Y dehydrated at room temperature (293 K) and 1 × 10-6 Torr. has been determined using synchrotron X-radiation in the cubic space group Fd3m (a = 24.9639(2) A) at 294 K. The structure was refined to the final error index R1 = 0.0429 with 926 reflections where Fo > 4σ(Fo); the composition (best integers) was identified as |(NH4)60Na11|[Si121Al71O384]-FAU. The 11 Na+ ions per unit cell were found at three different crystallographic sites and 60 NH4+ ions were distributed over three sites. The 3 Na+ ions were located at site I, the center of the hexagonal prism (Na-O = 2.842(5) A and O-Na-O = 85.98(12)0). The 4 Na+ and 22 NH4+ ions were found at site I' in the sodalite cavity opposite the double 6-rings, respectively (Na-O = 2.53(13) A, O-Na-O = 99.9(7)0, N-O = 2.762(11) A, and O-N-O = 89.1(5)0). About 4 Na+ ions occupied site II (Na-O = 2.40(4) A and O-Na-O = 108.9(3)0) and 29 NH4+ ions occupy site II (N-O = 2.824(9) A and O-N-O = 87.3(3)0) opposite to the single 6-rings in the supercage. The remaining 9 NH4+ ions were distributed over site III' (N-O = 2.55(3), 2.725(13) A and O-N-O = 94.1(13), 62.16(15), 155.7(14)0).
Keyword Zeolite Y
Partially cobalt(II)-exchanged zeolite
Ammonium-exchange
Single-crystal X-ray diffraction
Crystal structure
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

 
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Created: Thu, 03 Sep 2009, 18:19:00 EST by Mr Andrew Martlew on behalf of Aust Institute for Bioengineering & Nanotechnology