Multitemperature synchrotron powder diffraction and thermoelectric properties of the skutterudite La0.1Co4Sb12

2010 ◽  
Vol 107 (11) ◽  
pp. 113507 ◽  
Author(s):  
Jian-Li Mi ◽  
Mogens Christensen ◽  
Eiji Nishibori ◽  
Vladimir Kuznetsov ◽  
David Micheal Rowe ◽  
...  
Keyword(s):  
Thermoelectric Properties ◽  
Powder Diffraction ◽  
Synchrotron Powder Diffraction

The Fine Structure of YCuO2+x Delafossite Determined by Synchrotron Powder Diffraction and Electron Microscopy

2001 ◽  
Vol 156 (2) ◽  
pp. 428-436 ◽  
Author(s):  
G. Van Tendeloo ◽  
O. Garlea ◽  
C. Darie ◽  
C. Bougerol-Chaillout ◽  
P. Bordet
Keyword(s):  
Electron Microscopy ◽  
Fine Structure ◽  
Powder Diffraction ◽  
Synchrotron Powder Diffraction

scholarly journals A quarter of a century after its synthesis and with >200 papers based on its use, `Co(CO3)0.5(OH)·0.11H2O′ proves to be Co6(CO3)2(OH)8·H2O from synchrotron powder diffraction data

2019 ◽  
Vol 75 (1) ◽  
pp. 61-64 ◽  
Author(s):  
Prateek Bhojane ◽  
Armel Le Bail ◽  
Parasharam M. Shirage
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Type ◽  
Structural Knowledge ◽  
Chemical Formula ◽  
Powder Diffraction Data ◽  
Hexagonal Cell ◽  
Successful Attempt ◽  
Synchrotron Powder Diffraction ◽  
Orthorhombic Cell

The successful attempt to solve the crystal structure of Co(CO3)0.5(OH)·0.11H2O (denoted CCH), based on synchrotron powder diffraction data, leads to a drastic revision of the chemical formula to Co6(CO3)2(OH)8·H2O [hexacobalt(II) bis(carbonate) octahydroxide monohydrate] and to a hexagonal cell instead of the orthorhombic cell suggested previously [Porta et al. (1992). J. Chem. Soc. Faraday Trans. 88, 311–319]. This results in a new structure-type related to malachite involving infinite chains of [CoO6] octahedra sharing edges along a short c axis, delimiting tunnels having a three-branched star section. All reports discussing cobalt hydroxycarbonates (CCH) without any structural knowledge and especially its topotactic decomposition into Co3O4 have, as a result, to be reconsidered.

Synchrotron powder diffraction characterization of the zeolite-based (p-N,N-dimethylnitroaniline–mordenite) guest–host phase

2008 ◽  
Vol 64 (6) ◽  
pp. 713-724 ◽  
Author(s):  
Florence Porcher ◽  
Elena Borissenko ◽  
Mohamed Souhassou ◽  
Masaki Takata ◽  
Kenichi Kato ◽  
...  
Keyword(s):  
Powder Diffraction ◽  
Dipole Moments ◽  
Membered Ring ◽  
Unit Cell Parameters ◽  
Cell Parameters ◽  
Crystallographic Study ◽  
Synchrotron Powder Diffraction ◽  
Ring Channel ◽  
New Phase

The crystal structure of a new phase consisting of the inclusion of the hyperpolarizable molecule p-N,N-dimethylnitroaniline (dimethyl-para-nitroaniline or dmpNA) in the large-pore zeolite mordenite (MOR) has been determined from high-resolution synchrotron powder diffraction at 300 and 90 K. The unit-cell parameters and space group at 300 K are similar to those of as-synthesized mordenite. The crystallographic study indicates that the MOR straight channels are almost fully loaded with molecules that are disordered over eight symmetry-related sites. As expected, the molecules are located in the large 12-membered ring channel, at the intersection with the secondary eight-membered channel with which they might form hydrogen bonds. The elongation axes (and then the dipole moments) of the molecules are slightly tilted (28.57°) from [001]. The configuration found suggests an interaction of dmpNA with framework O atoms through its methyl groups.

Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH4)2 from in Situ Synchrotron Powder Diffraction

2020 ◽  
Vol 12 (6) ◽  
pp. 7710-7716
Author(s):  
Iurii Dovgaliuk ◽  
Vadim Dyadkin ◽  
Mathieu Vander Donckt ◽  
Yaroslav Filinchuk ◽  
Dmitry Chernyshov
Keyword(s):  
Powder Diffraction ◽  
Isothermal Kinetics ◽  
Synchrotron Powder Diffraction ◽  
Kinetics Of

Solving centrosymmetrical zeolites from powder diffraction data by combining the direct-methods origin-free modulus sum function with the isomorphous replacement technique. X

2005 ◽  
Vol 38 (6) ◽  
pp. 906-911 ◽  
Author(s):  
Jordi Rius-Palleiro ◽  
Inmaculada Peral ◽  
Irene Margiolaki ◽  
Xavier Torrelles
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Direct Methods ◽  
Template Molecule ◽  
Powder Diffraction Data ◽  
Two Stage ◽  
Second Stage ◽  
Isomorphous Replacement ◽  
Synchrotron Powder Diffraction ◽  
Replacement Technique

A new two-stage strategy for the solution of zeolite crystal structures with centrosymmetrical frameworks is proposed; this strategy exploits the information contained in multiple powder diffraction patterns. In the first stage, the structure-directing agent (SDA),i.e.the template molecule, is located by combining the isomorphous replacement technique with direct methods. In the second stage, the framework atoms are found by applying direct methods strengthened with additional information coming from the located SDA. All phase refinements are based on the maximization of the origin-free modulus sum function as implemented in the direct-methods programXLENS[Rius (2004).Z. Kristallogr.219, 826–832], with data resolution limits equal to 3.2 Å for the first and 2.21 Å for the second stage. The viability of this new two-stage strategy is illustrated with the solution of the novel zeolite ITQ-32, containing nine Si atoms in the asymmetric unit, from synchrotron powder diffraction data. Especially important is the confirmation that the intensity differences involved in the SDA isomorphous replacement are significantly greater than the experimentally measured errors.

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