Cross-Linked Layered Structure of Magnetically Ordered [Fe(TCNE)2]⋅z CH2Cl2 Determined by Rietveld Refinement of Synchrotron Powder Diffraction Data

2007 ◽  
Vol 119 (9) ◽  
pp. 1543-1546 ◽  
Author(s):  
Jae-Hyuk Her ◽  
Peter W. Stephens ◽  
Konstantin I. Pokhodnya ◽  
Michael Bonner ◽  
Joel S. Miller
Keyword(s):  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Layered Structure ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Synchrotron Powder Diffraction ◽  
Magnetically Ordered

Synchrotron Powder Diffraction using Imaging Plates: Crystal Structure Determination and Rietveld Refinement

1997 ◽  
Vol 30 (1) ◽  
pp. 21-30 ◽  
Author(s):  
P. Norby
Keyword(s):  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structural Information ◽  
High Energy ◽  
Imaging Plate ◽  
Powder Diffraction Data ◽  
Resolution Function ◽  
Synchrotron Powder Diffraction ◽  
Incoming Beam

The combination of intense X-ray synchrotron radiation and an imaging-plate area detector makes it possible to extract real-time structural information using Rietveld refinement of individual time slices. Powder diffraction data from capillary samples were collected using a flat imaging plate mounted perpendicular to, or at an oblique angle to, the incoming beam. Owing to the geometry of the experiments, several factors must be taken into account when Rietveld refinement of powder diffraction data obtained using a flat imaging plate is performed: (i) nonequal step sizes are obtained when the diffraction profiles are extracted; (ii) the refined zero-point correction is different from that for conventional diffraction geometry; (iii) the sample-detector distance is not constant, requiring a modified geometric term in the Lorentz factor; (iv) the geometric contribution to the instrumental resolution function must be considered. The geometric factors have been derived and are discussed. The Rietveld program XRS-82 and the profile extraction program ALLHKL have been modified to allow flat imaging-plate powder diffraction data to be refined. The Rietveld refinement of powder diffraction data of α-quartz collected using a 30 s exposure is presented. LaB6 powder diffraction data were collected using various settings. The profile variation with angle and the resolution function are described. Data were collected up to sin θ/λ = 1.29 Å−1 (d values down to 0.39 Å) using high energy and with the imaging plate inclined at an angle to the incoming beam.

Layered (2-D) structure of [Ru2(O2CMe)4]2[Ni(CN)4] determined via Rietveld refinement of synchrotron powder diffraction data

2010 ◽  
Vol 364 (1) ◽  
pp. 172-175 ◽  
Author(s):  
Jae-Hyuk Her ◽  
Peter W. Stephens ◽  
Bretni S. Kennon ◽  
Chen Liu ◽  
Joel S. Miller
Keyword(s):  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Synchrotron Powder Diffraction

Rietveld refinement of the ranciéite structure using synchrotron powder diffraction data

2008 ◽  
Vol 23 (1) ◽  
pp. 10-14 ◽  
Author(s):  
Jeffrey E. Post ◽  
Peter J. Heaney ◽  
Andreas Ertl
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Octahedral Sheet ◽  
X Ray ◽  
Synchrotron Powder Diffraction ◽  
The Mean

Rietveld refinement using synchrotron powder X-ray diffraction data of the ranciéite, Ca0.19K0.01(Mn4+0.91◻0.09)O2⋅0.63H2O, crystal structure reveals significant differences from that reported previously. The interlayer H2O molecules occupy sites halfway between the Mn,O octahedral sheets. The Mn sites in the octahedral sheets have 10% vacancies, and the mean Mn–O distance indicates that all Mn is tetravalent (Mn4+). The interlayer Ca cations are located above and below the Mn vacancies and are octahedrally coordinated to three O2 atoms in the octahedral sheet and three H2O molecules in the interlayer.

Rietveld Refinement of the BaTiO3 from X-Ray Powder Diffraction

2009 ◽  
Vol 79-82 ◽  
pp. 593-596
Author(s):  
Feng Sun ◽  
Yan Sheng Yin
Keyword(s):  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Structural Parameters ◽  
Ferroelectric Ceramic ◽  
Powder Diffraction Data ◽  
Ceramic Powders ◽  
Space Group ◽  
X Ray

The ferroelectric ceramic BaTiO3 was synthesized at 1000 °C for 5 h. The structure of the system under study was refined on the basis of X-ray powder diffraction data using the Rietveld method. The system crystallizes in the space group P4mm（99）. The refinement of instrumental and structural parameters led to reliable values for the Rp, Rwp and Rexp.We use the TOPAS software of Bruker AXS to refine this ceramic powders and show its conformation

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