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EPDIC EPDIC 13the European PowderDiffraction conferenceGrenoble, 28-31 October2012
Powder D
iffractionVolum
e 28 Supplement 2 Septem
ber 2013 Volume 28 / Supplement 2 / September 2013
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Editor-in-Chief (Interim)Thomas BlantonICDD12 Campus Blvd.Newtown Square, PA [email protected]
Managing EditorNicole M. Ernst BorisInternational Centre for Diffraction Data12 Campus BoulevardNewtown Square, Pennsylvania 19073-3273, [email protected]
Editor for New Diffraction DataDr. Soorya KabekkoduInternational Centre for Diffraction Data12 Campus BoulevardNewtown Square, Pennsylvania 19073-3273, [email protected]
EditorsXiaolong ChenInstitute of PhysicsChinese Academy of SciencesNo. 8 Nansanjie, Zhongguancun, Haidian District,Beijing 100190,[email protected]
José Miguel DelgadoUniversidad de Los AndesFacultad de CienciasDepartamento de QuímicaLab de CristalografíaMérida [email protected]
Norberto MasciocchiUniversitá dell’InsubriaDipartimento di Scienza e Alta Tecnologiavia Valleggio 11Como [email protected]
Editors for Crystallography EducationJames KadukAnalytical Science Research ServicesPoly Crystallography Inc.423 East Chicago AvenueNaperville, Illinois 60540-5407, [email protected]
Brian H. TobyArgonne National LaboratoryAdvanced Photon Source9700 S. Cass Ave., Bldg. 433/D003,Argonne, Illinois 60439-4856, [email protected]
International Reports EditorWinnie Wong-NgNational Institute of Standards and Technology100 Bureau Drive, Mail Stop 8520Gaithersburg, Maryland 20899-8520, [email protected]
Calendar of Meetings and Workshops EditorGang WangInstitute of PhysicsChinese Academy of SciencesNo. 8 Nansanjie, Zhongguancun, Haidian District,Beijing 100190,[email protected]
On the Cover: Figure Caption: Cross sections of FCC sphericalparticles constructed assuming (a) no displacement of the shapefunction with respect to the lattice, and (b) a displacement ofthe shape function by t = [0.5a, 0.5a, 0.5a] are shown.Figure provided by: Kenneth R. Beyerlein.
Powder Diffraction is a quarterly journal published by the JCPDS-International Centrefor Diffraction Data through Cambridge University Press.Powder Diffraction is a journal of practical technique, publishing articles relating to thewidest range of application—from materials analysis to epitactic growth of thin filmsand to the latest advances in software. Although practice will be emphasized, theorywill not be neglected, especially as its discussion will relate to better understanding oftechnique.Submit manuscripts online at http://mc.manuscriptcentral.com/pdj. See the instruc-tions on submitting your manuscript linked on that page. The editors will consider allmanuscripts received, but assume no responsibility regarding them. There is no pub-lication charge.Most proofs are handled via email at [email protected]. Proofs and all corre-spondence concerning papers in the process of publication can also be addressedto: Production Editor, Powder Diffraction, Cambridge University Press, 32 Avenueof the Americas, New York, NY 10013-2473, U.S.A. Please include the job numberin all correspondence.For advertising rates and schedules contact Cambridge University PressAdvertising Sales. Orders, advertising copy, and offset negatives should be sent to:Advertising Sales, Cambridge University Press, 32 Avenue of the Americas, NewYork, NY, 10013-2473, U.S.A.; Phone: 212-924-3900; Fax: 212-924-3900. Email:[email protected].
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Volume 28 Number S2 September 2013CODEN: PODIE2ISSN: 0885-7156
Michela Brunelli, PierreBordet and Paolo Scardi
Proceedings of the Thirteenth European Powder Diffraction Conference S1
Kenneth R. Beyerlein A review of Debye Function Analysis S2
Ruggero Frison, AntonioCervellino, GiuseppeCernuto, AntoniettaGuagliardi and NorbertoMasciocchi
Testing the Debye Function Approach on a Laboratory X-ray Powder DiffractionEquipment. A Critical Study.
S11
J. P. Cline, M. Leoni,D. Black, A. Henins, J. E.Bonevich, P. S. Whitfield andP. Scardi
Crystalline domain size and faulting in the new NIST SRM 1979 zinc oxide S22
C. González-Silgo,C. Guzmán-Afonso,V. M. Sánchez-Fajardo,S. Acosta-Gutiérrez,A. Sánchez-Soares,M. E. Torres, N. Sabalisck,E. Matesanz and J. Rodríguez-Carvajal
Polymorphism in Ho2(MoO4)3 S33
H.F. Brito, J. Hölsä T.Laamanen, T. Laihinen,M. Lastusaari, L.C.V.Rodrigues, L. Pihlgren andT. Soukka
Rare Earth Distribution in NaRF4: Effect on Up-Conversion Intensity S41
U. V. Ancharova and S. V.Cherepanova
Domain structure investigation of non-stoichiometric strontium ferrites andcobaltites
S51
N.V. Tarakina, A.P.Tyutyunnik, T.V. Dyachkova,L.L. Surat, B.V. Slobodin andV.G. Zubkov
Crystal structure of RbBaVO4 and high-pressure modification of KCaVO4 S65
Izabela Jendrzejewska, PawełZajdel, Ewa Maciazek, MariaSozanska and TomaszGoryczka
X-ray powder diffraction and magnetic study of nominal Zn1-xNdxCr2Se4 – com-pounds (x = 0.05, 01)
S75
A. Hernández-Suárez,C. Guzmán-Afonso, J. López-Solano, C. González-Silgo,M. E. Torres, N. Sabalisck,E. Matesanz and J. Rodríguez-Carvajal
Ferroic phase transition in LaEr(MoO4)3 S86
Sudipta Goswami, DiptenBhattacharya, Gail N. Iles,Barnali Ghosh, Anastasiia A.Prytuliak, Benoit Malard,Gopes C. Das, B. Ouladdiafand T. Chatterji
Anomaly in structural noncentrosymmetry around TN in bulk and nanoscale BiFeO3 S94
Simona Galli and NorbertoMasciocchi
Enclosing the functional properties of pyrazolato-based coordination polymerswithin a structural frame: the role of laboratory X-ray powder diffraction
S106
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V. Sikolenko, V.V. Efimov,D.Többens, S. Schorr,C. Ritter, M.V. Bushinsky andI.O.Troyanchuk
Pressure effects on oxygen-deficient Ba-substituted cobaltites S126
H. J. Krzton, M. Niesler andZ. Kania
The application of the X-ray micro-diffraction to study some industrial problems S133
Dieter Jehnichen, PeterFriedel, Romy Selinger,Andreas Korwitz, MartinWengenmayr, Andreas Berndtand Doris Pospiech
Temperature dependant structural changes in thin films of random semifluorinatedPMMA copolymers
S144
Z. Matej, L. Matejová, and R.Kužel
XRD analysis of nanocrystalline anatase powders prepared by various chemicalroutes: correlations between micro-structure and crystal structure parameters
S161
Michael Burgess, AlbertoLeonardi, Matteo Leoni andPaolo Scardi
Diffraction line broadening from nanocrystals under large hydrostatic pressures S184
Hassen Agougui, AbdallahAissa and Mongi Debbabi
Covalent modification of calcium hydroxy and fluoroapatite surface by graftingalkylphosphonate
S197
G. Berti, F. De Marco andM. E. Del Seppia
Lattice deformation measurements via “on site X-ray diffraction” S209
Stephanie Ryding, RobertCernik, Jenny Wooldridge,Tim L Burnett, Mark Stewart,Carlo Vecchini, Markys G.Cain, Alistair Lennie, FajinYuan, Chiu Tang and PaulThompson
Simultaneous measurement of X-ray powder diffraction and ferroelectric polaris-ation data as a function of applied electric field at a range of frequencies
S220
M. Müller, C. L. AzanzaRicardo, R. Di Maggio andP. Scardi
Growth kinetics of Cu2ZnSnS4 thin films and powders S228
H. Kohlmann, N. Kurtzemannand T. C. Hansen
Metal hydride formation in palladium and palladium rich intermetallic compoundsstudied by in situ neutron diffraction
S242
Racha El Osta, Mark Feyand,Norbert Stock, FranckMillange and Richard I.Walton
Crystallisation Kinetics of Metal Organic Frameworks From in situ Time-ResolvedX-ray Diffraction
S256
M. Kuc eráková, S. Vratislav,L. Kalvoda and M. Machek
Neutron diffraction study of the crystallographic preferential orientation of meta-gabro mylonite
S276
Marwa Ammar, WalidOueslati, Hafsia Ben Rhaiemand Abdesslem Ben HajAmara
XRD profile modeling approach tools to investigate the effect of charge location onhydration behavior in the case of metal exchanged smectite
S284
I. Tomov and S. Vassilev Nullifying the extinction effect in XRD characterization of fibre textures S301
Ravinder Singh Joshi andHarpreet Singh
Using X-ray diffraction for studying the effect of modulation and machining par-ameters on deformation level in brass particulate produced by modulation assistedmachining
S315
M.Y. Xie, T.S. Jun,A.M. Korsunsky andM. Drakopoulos
Analysis of Preferred Orientations in Linear Friction Welded (LFW) AluminiumAlloy Specimens using “One-shot” Multi-element Energy Dispersive SynchrotronX-ray Diffraction
S327
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A.M.T. Bell, H-P. Liermann,J. Bednarcik and C.M.B.Henderson
Synchrotron X-ray powder diffraction study on synthetic Sr-Fresnoite S333
J. Kieffer and J.P. Wright PyFAI: a Python library for high performance azimuthal integration on GPU S339
P. Mikula, M. Vrána, J. Šaroun,B.S. Seong and W. Woo
Double Bent Crystal Monochromator for High Resolution Neutron PowderDiffraction
S351
F. Fauth, I. Peral, C. Popescuand M. Knapp
The new Material Science Powder Diffraction beamline at ALBA Synchrotron S360
H. Palancher, A. Bonnin,C.V. Colin, V. Nassif,V. Honkimäki , R. Jungwirth,C., Ritter, G. Champion andY. Calzavara
UMo/Al nuclear fuel plate behavior under thermal treatment (425-550°C) S371
Abderrahim Aatiq and MyRachid Tigha
Structural and spectroscopic study of NaSbR(PO4)3 (R = Cr, Fe, In) phases S394
Sonia Jebri, Habib Boughzala,Ali Bechrifa and MohamedJemal
Rietveld structural refinement of «A» type phosphostrontium carbonatehydroxyapatites
S409
B. Peplinski, C. Adam,B. Adamczyk, R. Müller,R. Schadrack, M. Michaelis,F. Emmerling, H. Reuther,M. Menzel
Evidence of formation of the tridymite form of AlPO4 in some municipal sewagesludge ashes
S425
Nikolaos Baimpas, MengyinXie, Christina Reinhard andAlexander M. Korsunsky
The application of geometry corrections for Diffraction Strain Tomography (DST)analysis of a Ni-base superalloy blade
S436
S. T. B. Salvi, S. G. Antonioand C. O. Paiva-Santos
Atenolol characterization in solid formulations available in Brazilian market S448
Kenny Ståhl, Christian G.Frankær, Jakob Petersen, andPernille Harris
Monitoring protein precipitates by in-house X-ray powder diffraction S458
Anna Portell, Xavier Alcobé,Latévi M. Lawson Daku,Radovan Cerný and RafelProhens
Crystal structure solution of an elusive polymorph of Dibenzylsquaramide S470
Oriol Vallcorba, Anna Crespi,Jordi Rius and CarlesMiravitlles
Use of TALP with laboratory powder diffraction data from 2D detectors S481
Fanny N. Costa, Fabio FurlanFerreira, Tiago F. da Silva,Eliezer J. Barreiro, Lídia M.Lima, Delson Braz andRegina C. Barroso
Structure Re-determination of LASSBio-294 – a cardioactive compound of the N-acylhydrazone class – using X-ray powder diffraction data
S491
N.V. Tarakina,A.P. Tyutyunnik,Ya.V. Baklanova,L.G. Maksimova, T.A.Denisova and R.B. Neder
Crystal structure of a new HfO(OH)2 oxyhydroxide S510
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