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Rietveld refinement of a chabazite-like aluminophosphate containing a [Ni(1,2-diaminoethane)(2)O-2](2-) complex bridge

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2001
Authors
Meden, A
McCusker, LB
Baerlocher, C
Rajić, Nevenka
Kaučič, Venčeslav
Article (Published version)
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Abstract
The crystal structure of a novel Ni-containing precursor to the molecular sieve AlPO4-34 (CHA framework type) has been determined in its as-synthesized form using high-resolution synchrotron powder diffraction data. One [Ni(1,2-diaminoethane)(2)O-2](2-) complex is found per chabazite-like cage in the triclinic unit cell Of C4H18N4NiAl6P6O26 (a = 9.0854(9) Angstrom, b = 9.3327(3) Angstrom, c = 8,936(1) Angstrom, alpha = 86.27(6)degrees, beta = 101.26(6)degrees, gamma = 92.72(5)degrees, P (1) over bar). Although the connectivity of the aluminophosphate framework is related to that of AlPO4-34, it is not identical because some P-O-Al bridges are broken. The Al atoms associated with this disruption of the connectivity form double Al-O-Al bridges and are five-coordinate, while the P atoms interact strongly with the Ni(II) complex ion to form an unusual P-O-Ni-O-P bridge across the chabazite cage. The triclinic deformation associated with these structural features disappears upon calcination..., when the Ni(II) complex decomposes and the fully connected CHA framework type forms.

Keywords:
AlPO4-34 precursors / CHA framework type / Ni(II) complex / synchrotron powder diffraction / Rietveld refinement
Source:
Microporous and Mesoporous Materials, 2001, 47, 2-3, 269-274
Publisher:
  • Elsevier, Amsterdam

DOI: 10.1016/S1387-1811(01)00386-9

ISSN: 1387-1811

WoS: 000171341700014

Scopus: 2-s2.0-0035477849
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URI
http://TechnoRep.tmf.bg.ac.rs/handle/123456789/380
Collections
  • Radovi istraživača / Researchers’ publications (TMF)
Institution/Community
Tehnološko-metalurški fakultet
TY  - JOUR
AU  - Meden, A
AU  - McCusker, LB
AU  - Baerlocher, C
AU  - Rajić, Nevenka
AU  - Kaučič, Venčeslav
PY  - 2001
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/380
AB  - The crystal structure of a novel Ni-containing precursor to the molecular sieve AlPO4-34 (CHA framework type) has been determined in its as-synthesized form using high-resolution synchrotron powder diffraction data. One [Ni(1,2-diaminoethane)(2)O-2](2-) complex is found per chabazite-like cage in the triclinic unit cell Of C4H18N4NiAl6P6O26 (a = 9.0854(9) Angstrom, b = 9.3327(3) Angstrom, c = 8,936(1) Angstrom, alpha = 86.27(6)degrees, beta = 101.26(6)degrees, gamma = 92.72(5)degrees, P (1) over bar). Although the connectivity of the aluminophosphate framework is related to that of AlPO4-34, it is not identical because some P-O-Al bridges are broken. The Al atoms associated with this disruption of the connectivity form double Al-O-Al bridges and are five-coordinate, while the P atoms interact strongly with the Ni(II) complex ion to form an unusual P-O-Ni-O-P bridge across the chabazite cage. The triclinic deformation associated with these structural features disappears upon calcination, when the Ni(II) complex decomposes and the fully connected CHA framework type forms.
PB  - Elsevier, Amsterdam
T2  - Microporous and Mesoporous Materials
T1  - Rietveld refinement of a chabazite-like aluminophosphate containing a [Ni(1,2-diaminoethane)(2)O-2](2-) complex bridge
EP  - 274
IS  - 2-3
SP  - 269
VL  - 47
DO  - 10.1016/S1387-1811(01)00386-9
ER  - 
@article{
author = "Meden, A and McCusker, LB and Baerlocher, C and Rajić, Nevenka and Kaučič, Venčeslav",
year = "2001",
abstract = "The crystal structure of a novel Ni-containing precursor to the molecular sieve AlPO4-34 (CHA framework type) has been determined in its as-synthesized form using high-resolution synchrotron powder diffraction data. One [Ni(1,2-diaminoethane)(2)O-2](2-) complex is found per chabazite-like cage in the triclinic unit cell Of C4H18N4NiAl6P6O26 (a = 9.0854(9) Angstrom, b = 9.3327(3) Angstrom, c = 8,936(1) Angstrom, alpha = 86.27(6)degrees, beta = 101.26(6)degrees, gamma = 92.72(5)degrees, P (1) over bar). Although the connectivity of the aluminophosphate framework is related to that of AlPO4-34, it is not identical because some P-O-Al bridges are broken. The Al atoms associated with this disruption of the connectivity form double Al-O-Al bridges and are five-coordinate, while the P atoms interact strongly with the Ni(II) complex ion to form an unusual P-O-Ni-O-P bridge across the chabazite cage. The triclinic deformation associated with these structural features disappears upon calcination, when the Ni(II) complex decomposes and the fully connected CHA framework type forms.",
publisher = "Elsevier, Amsterdam",
journal = "Microporous and Mesoporous Materials",
title = "Rietveld refinement of a chabazite-like aluminophosphate containing a [Ni(1,2-diaminoethane)(2)O-2](2-) complex bridge",
pages = "274-269",
number = "2-3",
volume = "47",
doi = "10.1016/S1387-1811(01)00386-9"
}
Meden, A., McCusker, L., Baerlocher, C., Rajić, N.,& Kaučič, V.. (2001). Rietveld refinement of a chabazite-like aluminophosphate containing a [Ni(1,2-diaminoethane)(2)O-2](2-) complex bridge. in Microporous and Mesoporous Materials
Elsevier, Amsterdam., 47(2-3), 269-274.
https://doi.org/10.1016/S1387-1811(01)00386-9
Meden A, McCusker L, Baerlocher C, Rajić N, Kaučič V. Rietveld refinement of a chabazite-like aluminophosphate containing a [Ni(1,2-diaminoethane)(2)O-2](2-) complex bridge. in Microporous and Mesoporous Materials. 2001;47(2-3):269-274.
doi:10.1016/S1387-1811(01)00386-9 .
Meden, A, McCusker, LB, Baerlocher, C, Rajić, Nevenka, Kaučič, Venčeslav, "Rietveld refinement of a chabazite-like aluminophosphate containing a [Ni(1,2-diaminoethane)(2)O-2](2-) complex bridge" in Microporous and Mesoporous Materials, 47, no. 2-3 (2001):269-274,
https://doi.org/10.1016/S1387-1811(01)00386-9 . .

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