Details
| Original language | English |
|---|---|
| Pages (from-to) | 25-32 |
| Number of pages | 8 |
| Journal | Microporous and Mesoporous Materials |
| Volume | 50 |
| Issue number | 1 |
| Early online date | 31 Oct 2001 |
| Publication status | E-pub ahead of print - 31 Oct 2001 |
Abstract
Rhodanide sodalite was synthesized hydrothermally in the system products were characterized by X-ray powder diffraction and IR spectroscopy. A material of nearly ideal composition was obtained after synthesis at 403 K and 24 h duration using highly alkaline conditions of 16-M NaOH-solution. The structural features of the sodalite were investigated by MAS NMR spectroscopy of the nuclei 29Si, 27Al, and 23Na and by Rietveld refinement of X-ray powder data. From these data the crystal structure of rhodanide sodalite Na8[AlSiO4]6(SCN)2 has been refined in the space group P-43n: a = 907.67(3) pm, V = 0.74780(4) nm3, RWP = 0.054, RP = 0.039, R1 = 0.020, Re = 0.027 for 4250 data points and 12 variable positional parameters. The Si- and Al-atoms of the aluminosilicate framework are completely ordered. Whereas the carbon atoms of the rhodanide anions are located at the center of the sodalite cages, the sulfur and nitrogen atoms were refined on (x,O,O) positions near the three-fold axis of the cage. The guest anions are positionally disordered, but dynamic averaging of the rhodanide positions is suggested from the 23Na MAS NMR spectrum.
Keywords
- Crystal structure, Identification, MAS NMR, Rhodanide sodalite, Synthesis
ASJC Scopus subject areas
- Chemistry(all)
- Materials Science(all)
- Physics and Astronomy(all)
- Condensed Matter Physics
- Engineering(all)
- Mechanics of Materials
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In: Microporous and Mesoporous Materials, Vol. 50, No. 1, 31.10.2001, p. 25-32.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Synthesis and crystal structure of rhodanide-enclathrated sodalite Na8[A1SiO4]6 (SCN)2
AU - Buhl, J. C.
AU - Gesing, Th M.
AU - Gurris, Ch
PY - 2001/10/31
Y1 - 2001/10/31
N2 - Rhodanide sodalite was synthesized hydrothermally in the system products were characterized by X-ray powder diffraction and IR spectroscopy. A material of nearly ideal composition was obtained after synthesis at 403 K and 24 h duration using highly alkaline conditions of 16-M NaOH-solution. The structural features of the sodalite were investigated by MAS NMR spectroscopy of the nuclei 29Si, 27Al, and 23Na and by Rietveld refinement of X-ray powder data. From these data the crystal structure of rhodanide sodalite Na8[AlSiO4]6(SCN)2 has been refined in the space group P-43n: a = 907.67(3) pm, V = 0.74780(4) nm3, RWP = 0.054, RP = 0.039, R1 = 0.020, Re = 0.027 for 4250 data points and 12 variable positional parameters. The Si- and Al-atoms of the aluminosilicate framework are completely ordered. Whereas the carbon atoms of the rhodanide anions are located at the center of the sodalite cages, the sulfur and nitrogen atoms were refined on (x,O,O) positions near the three-fold axis of the cage. The guest anions are positionally disordered, but dynamic averaging of the rhodanide positions is suggested from the 23Na MAS NMR spectrum.
AB - Rhodanide sodalite was synthesized hydrothermally in the system products were characterized by X-ray powder diffraction and IR spectroscopy. A material of nearly ideal composition was obtained after synthesis at 403 K and 24 h duration using highly alkaline conditions of 16-M NaOH-solution. The structural features of the sodalite were investigated by MAS NMR spectroscopy of the nuclei 29Si, 27Al, and 23Na and by Rietveld refinement of X-ray powder data. From these data the crystal structure of rhodanide sodalite Na8[AlSiO4]6(SCN)2 has been refined in the space group P-43n: a = 907.67(3) pm, V = 0.74780(4) nm3, RWP = 0.054, RP = 0.039, R1 = 0.020, Re = 0.027 for 4250 data points and 12 variable positional parameters. The Si- and Al-atoms of the aluminosilicate framework are completely ordered. Whereas the carbon atoms of the rhodanide anions are located at the center of the sodalite cages, the sulfur and nitrogen atoms were refined on (x,O,O) positions near the three-fold axis of the cage. The guest anions are positionally disordered, but dynamic averaging of the rhodanide positions is suggested from the 23Na MAS NMR spectrum.
KW - Crystal structure
KW - Identification
KW - MAS NMR
KW - Rhodanide sodalite
KW - Synthesis
UR - http://www.scopus.com/inward/record.url?scp=0035893991&partnerID=8YFLogxK
U2 - 10.1016/S1387-1811(01)00430-9
DO - 10.1016/S1387-1811(01)00430-9
M3 - Article
AN - SCOPUS:0035893991
VL - 50
SP - 25
EP - 32
JO - Microporous and Mesoporous Materials
JF - Microporous and Mesoporous Materials
SN - 1387-1811
IS - 1
ER -