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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Johnsen, Rune E.
Technical University of Denmark
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (15/15 displayed)
- 2020Role of the metal cation in the dehydration of the microporous metal–organic frameworks CPO-27-Mcitations
- 2019Improved cycling stability in high-capacity Li-rich vanadium containing disordered rock salt oxyfluoride cathodescitations
- 2019Structure-performance relationships on Co based Fischer – Tropsch synthesis catalysts: The more defect free the bettercitations
- 2019Structure-performance relationships on Co based Fischer – Tropsch synthesis catalysts: The more defect free the bettercitations
- 2018Intercalation of lithium into disordered graphite in a working batterycitations
- 2016In situ X-ray powder diffraction studies of the synthesis of graphene oxide and formation of reduced graphene oxidecitations
- 2015In Situ Studies of Fe4+ Stability in β-Li3Fe2(PO4)3 Cathodes for Li Ion Batteriescitations
- 2015Capillary based Li-air batteries for in situ synchrotron X-ray powder diffraction studiescitations
- 2014In Situ Synchrotron XRD on a Capillary Li-O2 Battery Cell
- 2014Temperature- and Pressure-Induced Changes in the Crystal Structure of Sr(NH3)8Cl2citations
- 2013Capillary-based micro-battery cell for in situ X-ray powder diffraction studies of working batteries: a study of the initial intercalation and deintercalation of lithium into graphitecitations
- 2013A combined in situ XAS-XRPD-Raman study of Fischer-Tropsch synthesis over a carbon supported Co catalystcitations
- 2012The iron member of the CPO-27 coordination polymer series: Synthesis, characterization, and intriguing redox propertiescitations
- 2010Structural and microstructural changes during anion exchange of CoAl layered double hydroxides: an in situ X-ray powder diffraction studycitations
- 2009A Structural Study of Stacking Disorder in the Decomposition Oxide of MgAl Layered Double Hydroxide: A DIFFaX plus Analysiscitations
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article
Temperature- and Pressure-Induced Changes in the Crystal Structure of Sr(NH3)8Cl2
Abstract
ABSTRACT: The structural transformations occurring in the crystal structure of strontium chloride octamine, Sr(NH3)8Cl2, as a function of temperature and<br/>pressure of ammonia gas were studied by detailed in situ X-ray powder diffraction (XRPD) and supported by density functional theory (DFT) calculations. Rietveld refinements were used to study the crystal structure of Sr(NH3)8Cl2 in details, and the potential presence of super symmetry is discussed. The Rietveld refinements show that the interatomic distance from the strontium ion to one of the ammonia molecules (Sr−N1) increases from 2.950(7) Å at 275 K to 3.50(6) Å at 322 K at P(NH3) = 2.0 bar. DFT calculations show that only half the energy is required to elongate the Sr−N1 bond from its equilibrium distance compared to the standard Sr−N bonds. The in situ XRPD data show that the a parameter of the unit cell increases relatively more than the b and c parameters during the heating, which is correlated to the crystallographic transformation. The in situ XRPD data show that increasing the heating rate pushes the structural transformation in the crystal structure to higher temperatures by a few kelvin. The in situ XRPD data show that the Sr(NH3)8Cl2 → Sr(NH3)2Cl2 + 6NH3(g) reaction has the lowest transformation temperature for all the studied ammonia pressures. The Sr(NH3)8Cl2 → Sr(NH3)Cl2 + 7NH3(g) reaction also plays a significant role at lower ammonia pressure. For the absorption of ammonia, Sr(NH3)Cl2 + 7NH3(g) → Sr(NH3)8Cl2 was the only observed reaction.<br/>