TY  - JOUR
AU  - Tuel, Alain
AU  - Caldarelli, Stefano
AU  - Meden, Anton
AU  - McCusker, Lynne B.
AU  - Baerlocher, Christian Baerlocher
AU  - Ristic, Alenka
AU  - Rajić, Nevenka
AU  - Mali, Gregor
AU  - Kaučič, Venčeslav
PY  - 2000
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6400
AB  - The triclinic form of AlPO4-34, a microporous aluminophosphate with the chabazite (CHA) topology, adopts a rhombohedral symmetry upon calcination. The framework structure of this phase remains intact under ambient conditions, but it distorts dramatically, though reversibly, in the presence of water. Following these structural changes in situ by X-ray diffraction revealed that there are actually two stable rehydrated phases, which differ from each other by one water molecule in the channel. Both of these phases have triclinic unit cells that are closely related to that of the calcined rhombohedral phase. The structure of the low-temperature (10 °C), fully rehydrated phase (phase B) was elucidated by combining high-resolution synchrotron powder diffraction with solid-state NMR techniques. Coordination of three of the six Al atoms to water molecules causes the deformation of the framework and the reduction of the symmetry. Rietveld refinement of the structure of phase B in the triclinic space group P1 (a = 9.026, b = 9.338, c = 9.508 Å, α = 95.1°, β = 104.1°, and γ = 96.6°) converged with RF = 0.079 and RWP = 0.176 (Rexp = 0.087). Framework connectivities derived from the structure were used to assign 31P NMR lines as well as part of the 27Al NMR signal.
PB  - American Chemical Society
T2  - The Journal of Physical Chemistry B
T1  - NMR Characterization and Rietveld Refinement of the Structure of Rehydrated AlPO4-34
EP  - 5705
SP  - 5697
VL  - 104
DO  - 10.1021/jp000455a
ER  - 

@article{
author = "Tuel, Alain and Caldarelli, Stefano and Meden, Anton and McCusker, Lynne B. and Baerlocher, Christian Baerlocher and Ristic, Alenka and Rajić, Nevenka and Mali, Gregor and Kaučič, Venčeslav",
year = "2000",
abstract = "The triclinic form of AlPO4-34, a microporous aluminophosphate with the chabazite (CHA) topology, adopts a rhombohedral symmetry upon calcination. The framework structure of this phase remains intact under ambient conditions, but it distorts dramatically, though reversibly, in the presence of water. Following these structural changes in situ by X-ray diffraction revealed that there are actually two stable rehydrated phases, which differ from each other by one water molecule in the channel. Both of these phases have triclinic unit cells that are closely related to that of the calcined rhombohedral phase. The structure of the low-temperature (10 °C), fully rehydrated phase (phase B) was elucidated by combining high-resolution synchrotron powder diffraction with solid-state NMR techniques. Coordination of three of the six Al atoms to water molecules causes the deformation of the framework and the reduction of the symmetry. Rietveld refinement of the structure of phase B in the triclinic space group P1 (a = 9.026, b = 9.338, c = 9.508 Å, α = 95.1°, β = 104.1°, and γ = 96.6°) converged with RF = 0.079 and RWP = 0.176 (Rexp = 0.087). Framework connectivities derived from the structure were used to assign 31P NMR lines as well as part of the 27Al NMR signal.",
publisher = "American Chemical Society",
journal = "The Journal of Physical Chemistry B",
title = "NMR Characterization and Rietveld Refinement of the Structure of Rehydrated AlPO4-34",
pages = "5705-5697",
volume = "104",
doi = "10.1021/jp000455a"
}

Tuel, A., Caldarelli, S., Meden, A., McCusker, L. B., Baerlocher, C. B., Ristic, A., Rajić, N., Mali, G.,& Kaučič, V.. (2000). NMR Characterization and Rietveld Refinement of the Structure of Rehydrated AlPO4-34. in The Journal of Physical Chemistry B
American Chemical Society., 104, 5697-5705.
https://doi.org/10.1021/jp000455a

Tuel A, Caldarelli S, Meden A, McCusker LB, Baerlocher CB, Ristic A, Rajić N, Mali G, Kaučič V. NMR Characterization and Rietveld Refinement of the Structure of Rehydrated AlPO4-34. in The Journal of Physical Chemistry B. 2000;104:5697-5705.
doi:10.1021/jp000455a .

Tuel, Alain, Caldarelli, Stefano, Meden, Anton, McCusker, Lynne B., Baerlocher, Christian Baerlocher, Ristic, Alenka, Rajić, Nevenka, Mali, Gregor, Kaučič, Venčeslav, "NMR Characterization and Rietveld Refinement of the Structure of Rehydrated AlPO4-34" in The Journal of Physical Chemistry B, 104 (2000):5697-5705,
https://doi.org/10.1021/jp000455a . .

TY  - JOUR
AU  - Rajić, Nevenka
AU  - Arčin, Iztok
AU  - Kaučič, Venčeslav
AU  - Kodre, Alojz
PY  - 1999
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6399
AB  - Diffuse-reflectance spectroscopy (DRS), X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) methods are applied to an investigation of Mn, Co and Ni local environments in MnAlPO, CoAlPO, and NiAlPO materials with chabazite-like topology. For all three products, insertion of the transition metals into tetrahedral Al-sites has been found. Calcination and rehydration of the as-synthesised materials cause a change of the oxidation number and co-ordination geometry of Mn and Co, while the oxidation and co-ordination number of Ni remain unaffected.
PB  - Croatian Chemical Society
T2  - Croatica Chemica Acta
T1  - A Study of the Mn, Co and Ni Environment in the As-synthesized and Rehydrated-calcined Aluminophosphate with Chabazite-like Topology
EP  - 661
IS  - 2-3
SP  - 645
VL  - 72
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6399
ER  - 

@article{
author = "Rajić, Nevenka and Arčin, Iztok and Kaučič, Venčeslav and Kodre, Alojz",
year = "1999",
abstract = "Diffuse-reflectance spectroscopy (DRS), X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) methods are applied to an investigation of Mn, Co and Ni local environments in MnAlPO, CoAlPO, and NiAlPO materials with chabazite-like topology. For all three products, insertion of the transition metals into tetrahedral Al-sites has been found. Calcination and rehydration of the as-synthesised materials cause a change of the oxidation number and co-ordination geometry of Mn and Co, while the oxidation and co-ordination number of Ni remain unaffected.",
publisher = "Croatian Chemical Society",
journal = "Croatica Chemica Acta",
title = "A Study of the Mn, Co and Ni Environment in the As-synthesized and Rehydrated-calcined Aluminophosphate with Chabazite-like Topology",
pages = "661-645",
number = "2-3",
volume = "72",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6399"
}

Rajić, N., Arčin, I., Kaučič, V.,& Kodre, A.. (1999). A Study of the Mn, Co and Ni Environment in the As-synthesized and Rehydrated-calcined Aluminophosphate with Chabazite-like Topology. in Croatica Chemica Acta
Croatian Chemical Society., 72(2-3), 645-661.
https://hdl.handle.net/21.15107/rcub_technorep_6399

Rajić N, Arčin I, Kaučič V, Kodre A. A Study of the Mn, Co and Ni Environment in the As-synthesized and Rehydrated-calcined Aluminophosphate with Chabazite-like Topology. in Croatica Chemica Acta. 1999;72(2-3):645-661.
https://hdl.handle.net/21.15107/rcub_technorep_6399 .

Rajić, Nevenka, Arčin, Iztok, Kaučič, Venčeslav, Kodre, Alojz, "A Study of the Mn, Co and Ni Environment in the As-synthesized and Rehydrated-calcined Aluminophosphate with Chabazite-like Topology" in Croatica Chemica Acta, 72, no. 2-3 (1999):645-661,
https://hdl.handle.net/21.15107/rcub_technorep_6399 .