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Powder Diffraction Journal
Volume 30 – 2015

Powder Diffraction – Vol. 30 Number 1 – March 2015

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

EDITORIAL

Nicole Ernst Boris – Managing Editor, Powder Diffraction
Recent changes to the Author Notes for Powder Diffraction(1)

TECHNICAL ARTICLES

W. Wong-Ng, J. A. Kaduk, D. L. Siderius, A. L. Allen, L. Espinal, B.M. Boyerinas, I. Levin, M. R. Suchomel, J. Ilavsky, L. Li, I. Williamson, E. Cockayne and H. Wu
Reference diffraction patterns, microstructure, and pore-size distribution for the copper (II) benzene-1,3,5-tricarboxylate metal organic framework (Cu-BTC) compounds (2)

M. Mojtahedi, M. Goodarzi, M. R. Aboutalebi and V. Soleimanian
An investigation on the microstructure and defects in the mechanically milled Cu and Fe powders (14)

Ana Cuesta, Gema Álvarez- Pinazo, Marta García-Maté, Isabel Santacruz, Miguel A. G. Aranda, Ángeles G. De la Torre and Laura León- Reina
Rietveld quantitative phase analysis with molybdenum radiation (25)

Ying Liu, Susumu Imashuku and Jun Kawai
Low-power total reflection X-ray fluorescence spectrometer using diffractometer guide rail (36)

Yoshinori Yonezaki
(Ba, Sr)3MgSi2O8 structure change caused by Ba/Sr replacement (40)

James A. Kaduk, Cyrus E. Crowder and Kai Zhong
Crystal structure of folic acid dihydrate, C29H29N2O6(H2O)2 (52)

Mark A. Rodriguez, James J. M. Griego, Harlan J. Brown – Shaklee, Mia A. Blea-Kirby, John F. Ihlefeld and Erik D. Spoerke
X-ray powder diffraction study of La2LiTaO6 (57)

NEW DIFFRACTION DATA

Chao Zeng, Guoqiang Lin, Weijing Zeng and Wei He
Crystal structure and powder X-ray diffraction data for new Tb3CuAl3Ge2 compound (63)

Joel W. Reid, James A. Kaduk, Subrahmanyam V. Garimella and John S. Tse
Rietveld refinement using synchrotron powder diffraction data for curcumin, C21H20O6, and comparison with density functional theory (67)

Di Wu, Pei Xiao Tang, Shan Shan Li, Hao Zhong Luo and Hui Li
X-ray powder diffraction data for gemcitabine, C9H11F2N3O4 (76)

Gerzon E. Delgado, Lis E. Fernández, Angelina C. Coronel and Eduardo – L. Varetti
X-ray powder diffraction data for methylene bis(thiocyanate) CH2(SCN)2, a microbicide for water-treatment purposes (79)

INTERNATIONAL REPORTS

Stephanie Jennings
2014 Denver X-ray Conference – Student Reflection (82)

CALENDARS

Gang Wang Calendar of Forthcoming Meetings Powder Diffraction March 2015 (85)

Gang Wang Calendar of Short Courses and Workshops Powder Diffraction March 2015 (87)

Powder Diffraction – Vol. 30 Number 2 – June 2015

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

EDITORIAL

Camden Hubbard
Excited to be Editor-in-Chief for Powder Diffraction (89)

Tom Blanton
Proceedings for the 14th European Powder Diffraction Conference published online as a 2015 Special Supplement Issue of Powder Diffraction Journal (90)

Tom Blanton and Lora Brehm
Sixty-third Denver X-ray Conference and selected Advances in X-ray Analysis papers for the June Powder Diffraction issue (92)

TECHNICAL ARTICLES

J. Prost, P. Wobrauschek and C. Streli
Comparison of different excitation modes for the analysis of light elements with aTXRF vacuum chamber (93)

Conal E. Murray, Jean L. Jordan-Sweet, Stephen W. Bedell and E. Todd Ryan
Stress determination through diffraction: establishing the link between Kröner and Voigt/Reuss limits (99)

Karsten Kunze
Crystal orientation measurements using SEM–EBSD under unconventional conditions (104)

Kouichi Tsuji, Atsushi Tabe, Peter Wobrauscheck and Christina Streli
Secondary excitation process for quantitative confocal 3D-XRF analysis (109)

Minoru Inoue, Yasujiro Yamada, Mao Kitamura, Norifumi Gotoh, Naoki Kawahara and Michael Mantler
A new methodical approach based on Compton scattering and XRF: quantitative analysis of CO2 and loss on ignition in quicklime (113)

Z. N. Guo, B. L. Han, P. Li, H. H. Zhang and W. X. Yuan
Solid solubility and superconductivity of FeyTe1−xXx (X = Se, S) (117)

Giovanni Cavallo, Maria Pia Riccardi and Roberto Zorzin
Powder diffraction of yellow and red natural earths from Lessini Mountains in NE Italy (122)

A. Le Bail and L’. Smrcok
Face-sharing octahedra in Cs3Al2F9 and Cs2AlF5 (130)

W. Wong-Ng, G. Liu, Y. Yan, K. R. Talley and J. A. Kaduk
X-ray powder diffraction studies of (BaxSr1−x)2Co2Fe12O22 and (BaxSr1−x)Co2Fe16O27 (139)

A. Dominic Fortes
X-ray powder diffraction analysis of two new magnesium selenate hydrates, MgSeO4·9H2O and MgSeO4·11H2O (149)

James A. Kaduk, Kai Zhong, Thomas N. Blanton and Stacy Gates
Crystal structure of levalbuterol hydrochloride polymorph A (Xopenex), C13H22NO3Cl (158)

D. Y. Leshok, N. N. Golovnev and S. D. Kirik
Cystamindi-ium tetrachlorocuprate [NH3(CH2)2SS(CH2)2NH3][CuCl4]: synthesis, crystal structure, and thermal decomposition (163)

James A. Kaduk, Kai Zhong and Thomas N. Blanton
Crystal structure of rilpivirine, C22H18N6 (170)

NEW DIFFRACTION DATA

XiaoLi Ma, PeiXiao Tang, Jin Yan, XiaoQing Wu, Qiang Chen and Hui Li
X-ray powder diffraction data for beta-methyl vinyl phosphate (C29H27N2O10P) (175)

Gerzon E. Delgado, Asiloé J. Mora, Jines E. Contreras and Cecilia Chacón
X-ray powder diffraction data for 1-methylhydantoin, an antiasthmatic and antidepressive hydantoin compound (178)

R. Pažout, J. Maixner and V. Bartunek
X-ray powder diffraction data for lanthanum trilactate trihydrate (182)

Jing Wang, Di Wu, Shan Shan Li, Pei Xiao Tang, Li Li Wang and Hui Li
X-ray powder diffraction data for calcium(II)–naproxen complex (C28H26CaO6·2H2O) (185)

CALENDARS

Gang Wang – Calendar of Forthcoming Meetings Powder Diffraction June 2015 (188)

Gang Wang – Calendar of Short Courses & Workshops Powder Diffraction June 2015 (190)

Powder Diffraction – Vol. 30 No. 2 Supp. 1- June 2015

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

EDITORIAL

Michela Brunelli, Paolo Scardi and Jens-Erik Jørgensen
Proceedings of the 14th European Powder Diffraction Conference (S1)

TECHNICAL ARTICLES

Andrea Bernasconi, Jonathan Wright and Nicholas Harker
Total scattering experiments on glass and crystalline materials at the ESRF on the ID11 Beamline (S2)

Dmytro Korablov, Thomas K. Nielsen, Flemming Besenbacher and Torben R. Jensen
Mechanism and kinetics of early transition metal hydrides, oxides, and chlorides to enhance hydrogen release and uptake properties of MgH2 (S9)

Dieter Jehnichen,Doris Pospiech, Peter Friedel, Guping He, Alessandro Sepe, Jianqi Zhang, Christine M. Papadakis, Rosa Taurino and Jan Perlich
Thin-film morphologies of block copolymers with nanoparticles (S16)

Kenneth R. Beyerlein, Christian Jooss, Anton Barty, Richard Bean, Sébastien Boutet, Sarnjeet S. Dhesi, R. Bruce Doak, Michael Först, Lorenzo Galli, Richard A. Kirian, Joseph Kozak, Michael Lang, Roman Mankowsky, Marc Messerschmidt, John C. H. Spence, Dingjie Wang, Uwe Weierstall, Thomas A. White, Garth J. Williams, Oleksandr Yefanov, Nadia A. Zatsepin, Andrea Cavalleri and Henry N. Chapman
Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr0.5a0.5MnO3 powder (S25)

B. Peplinski, C. Adam, B. Adamczyk, R. Müller, M. Michaelis, T. Krahl and F. Emmerling
Nanocrystalline and stacking-disordered β-cristobalite AlPO4: the now deciphered
main constituent of a municipal sewage sludge ash from a full-scale incineration facility
(S31)

Dubravka Šišak Jung, Tomica Hrenar, Ozren Jović, Petra Kalinovicićand Ines Primožic
Using synergy of experimental and computational techniques to solve monomer–trimer dilemma (S36)

P. Mikula and M. Vrána
New type of versatile neutron diffractometer with a double-crystal monochromator system (S41)

Andrea Troian, Luca Rebuffi, Matteo Leoni and Paolo Scardi
Toward a reference material for line profile analysis (S47)

M. Kuceráková, S. Vratislav, L. Kalvoda and Z. Trojanová
Analysis of preferential orientation in zirconium samples deformed by uniaxial tension using neutron and X-ray diffraction (S52)

Luca Rebuffi, Paolo Scardi and Manuel Sanchez del Rio
Design and management of a powder diffraction beamline for Line Profile Analysis: a realistic ray-tracing approach (S56)

Giorgia Confalonieri, Monica Dapiaggi, Marco Sommariva, Milen Gateshki, Andy N. Fitch and Andrea Bernasconi
Comparison of total scattering data from various sources: the case of a nanometric spinel (S65)

Marwa Ammar, Walid Oueslati, Nejmeddine Chorfi and Abdesslem Ben Haj Amara
The water retention mechanism of a Cs+ and Na+ exchanged montmorillonite: effect of relative humidity and ionic radius on the interlayer (S70)

Efthymios Polatidis, Nikolay Zotov and Eric J. Mittemeijer
Stress-induced phase transformations in thermally cycled superelastic NiTi alloys: in situ X-ray diffraction studies (S76)

Zdenek Pala, Jaroslava Fojtikova, Tomas Koubsky, Radek Musalek, Josef Strasky, Jiri Capek, Jiri Kyncl, Libor Beranek and Kamil Kolarik
Study of residual stresses, microstructure, and hardness in FeB and Fe2B ultra-hard layers (S83)

C. Schimpf, M. Schwarz, C. Lathe, E. Kroke and D. Rafaja
Corrugations of the basal planes in hexagonal boron nitride and their impact on the phase transition to cubic boron nitride (S90)

I. O. Troyanchuk, M. V. Bushinsky, V. Efimov, S. Schorr, C. Ritter and V. Sikolenko
Ferromagnetic ordering in La0.7Sr0.3Mn3+0.85Nb5+0.15O3 manganite (S97)

Dina Deyneko, Sergey Stefanovich and Bogdan Lazoryak
Crystal structure of new phosphates Ca9-xPbxEu(PO4)7 from Rietveld refinement (S101)

Jacek Podwórny
Temperature dependence of the inversion degree in three-cation spinel solid solutions: experimental evaluation by XRD (S104)

Kristian Ufer, Reinhard Kleeberg and Thomas Monecke
Quantification of stacking disordered Si–Al layer silicates by the Rietveld method: application to exploration for high-sulphidation epithermal gold deposits (S111)

Stefano Checchia, Marco Scavini, Mattia Allieta, Michela Brunelli, Claudio Ferrero and Mauro Coduri
Size and spatial correlation of defective domains in yttrium-doped CeO2 (S119)

Simone T. B. de Salvi, Diego Luiz Tita, Carlos de O. Paiva – Santos and Selma G. Antonio
Characterization of hydrochlorothiazide in solid formulations (S127)

ERRATUM

Powder Diffraction Volume 28 / Supplement 2 / September 2013– ERRATUM (S131)

Powder Diffraction – Vol. 30 Number 3 – September 2015

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

EDITORIAL

Camden Hubbard
Reference patterns and crystal structures of pharmaceuticals (191)

TECHNICAL ARTICLES

James A. Kaduk, Kai Zhong, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of ziprasidone hydrochloride monohydrate, C21H22Cl2N4OS(H2O) (192)

David R. Black, Donald Windover, Marcus H. Mendenhall, Albert Henins, James Filliben and James P. Cline
Certification of Standard Reference Material 1976B (199)

James A. Kaduk, Kai Zhong, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of fingolimod hydrochloride, C19H34ClNO2 (205)

James A. Kaduk, Joel W. Reid, Kai Zhong, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of solifenacin hydrogen succinate, C23H27N2O2(HC4H4O4) (211)

Yanfang Pan, Hao Liu, Wenchao Yang, Bo Zhang, Hongqun Tang, Shuai Liu and Yongzhong Zhan
Phase equilibria of the Cu–Dy–Ti ternary system at 973 K (218)

James A. Kaduk, Kai Zhong, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of lacosamide form I, C13H18N2O3 (224)

Nicola Döbelin
Interlaboratory study on the quantification of calcium phosphate phases by Rietveld refinement (231)

James A. Kaduk, Kai Zhong, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of tramadol hydrochloride, C16H26NO2Cl (242)

Toshiyuki Miyazaki, Yoichi Maruyama, Yohei Fujimoto and Toshihiko Sasaki
Improvement of X-ray stress measurement from a Debye–Scherrer ring by oscillation of the X-ray incident angle (250)

W. Wong-Ng, G. Liu and J. A. Kaduk
X-ray powder reference patterns for magnetoplumbite-like compounds, (BaxSr1−x)Ti6Co6O19 (x = 0.2, 0.4, 0.6, 0.8) (256)

James A. Kaduk, Kai Zhong, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of raltegravir potassium, C20H20FKN6O5 (263)

James A. Kaduk, Kai Zhong, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of nilotinib, C28H22F3N7O (270)

NEW DIFFRACTION DATA

Joel Reid, Toby Bond, Shiliang Wang, Jigang Zhou and Anguang Hu
Synchrotron powder diffraction, X-ray absorption and 1H nuclear magnetic resonance data for hypoxanthine, C5H4N4O (278)

XiaoLi Ma, ShanShan Li, LiuQi Guo, Qing Wang and Hui Li
X-ray powder diffraction data for DCT (C12H12Cl2N6O4S2 • C6H15N) (286)

Qing Wang, Yan Mei Huang, Xing Ling Ma, Shan Shan Li and Hui Li
X-ray powder diffraction data for piperaquine, C29H32Cl2N6 (289)

RADID COMMUNICATION

Qing Wang, Ying Xiao, Jia Wei He and Hui Li
Powder X-ray diffraction of 3,3-dichloro-1-(4-nitrophenyl)-2-piperidinone, C11H10Cl2N2O3 (293)

DATA REPORTS

G. Murugesan, R. Nithya and S. Kalainathan
Powder diffraction data on Ca0.9Nd0.1Ti0.9Al0.1O3 (294)

J. A. Kaduk, K. Zhong, T. N. Blanton, A. M. Gindhart and T. G. Fawcett
Powder X-ray diffraction of saxagliptin hydrochloride dihydrate, C18H26N3O2Cl(H2O)2 (296)

J. A. Kaduk, K. Zhong, T. N. Blanton, A. M. Gindhart and T. G. Fawcett
Powder X-ray diffraction of darunavir ethanolate, C27H37N3O7S(C2H5OH) (298)

CALENDARS

Gang Wang Calendar of Forthcoming Meetings Powder Diffraction June 2015 (301)

Gang Wang Calendar of Short Courses & Workshops Powder Diffraction September 2015 (300)

INTERNATIONAL REPORTS

Monika Kottenhahn and Eileen Jennings
ICDD Annual Spring Meetings (303)

Theresa Maguire
2015 Pharmaceutical Powder X-ray Diffraction Symposium (PPXRD-13) (318)

Norberto Masciocchi, Federica Bertolotti and Antonietta Guagliardi
Report on the To.Sca.Lake Workshop, Total Scattering for Nanotechnology, held at Como Lake (320)

CORRIGENDUM

W. Wong-Ng, J. A. Kaduk, D. L. Siderius, A. L. Allen, L. Espinal, B. M. Boyerinas, I. Levin, M. R. Suchomel, J. Ilavsky, L. Li, I. Williamson, E. Cockayne and H. Wu
Reference diffraction patterns, microstructure, and pore-size distribution for the copper (II) benzene-1,3,5-tricarboxylate metal organic framework (Cu-BTC) compounds – CORRIGENDUM (323)

Powder Diffraction – Vol. 30 Number 4 – December 2015

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

EDITORIAL

Tom Blanton
Denver X-ray Conference – A Review of 2015 and Looking Forward to 2016 (325)

TECHNICAL ARTICLES

Hiroaki Ichioka, Shohei Furuya, Toru Asaka, Hiromi Nakano and Koichiro Fukuda
Crystal structures and enhancement of photoluminescence intensities by effective doping for lithium tantalate phosphors (326)

James A. Kaduk, Kai Zhong, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of  almeterol xinafoate form I (Serevent®Diskus®), (C25H37NO4)(C11H8O3) (333)

Torsten Westphal, Thomas A. Bier, Keisuke Takahashi and Mirco Wahab
Using exploratory factor analysis to examine consecutive in-situ X-ray diffraction measurements (340)

James A. Kaduk, Kai Zhong, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of sitagliptin dihydrogen phosphate monohydrate, C16H16F6N5O(H2PO4)(H2O) (349)

NEW DIFFRACTION DATA

Bruno Z. Mascaliovas, Fernando R.G. Bergamini, Alexandre Cuin and Pedro P. Corbi
Synthesis and crystal structure of a palladium(II) complex with the amino acid L-citrulline (357)

Degui Li, Ming Qin, Liuqing Liang, Changsheng Qin, Chenzhong Jia, Lei Hu, Bing He and Lingmin Zeng
X-ray powder diffraction pattern and crystal structure of AlCu4Y ternary compound (362)

RAPID COMMUNICATION

Qing Wang, Yan Mei Huang, Qiao Mei Sun, Xiang Ling Ma and Hui Li
Powder X-ray diffraction of 5-Chloro-N-(4-nitrophenyl) pentanamide, C11H13ClN2O3 (365)

Qing Wang, Xin Nuo Xiong, Jia Wei He, Pei Xiao Tang and Hui Li
Powder X-ray diffraction of 1-(4-Nitrophenyl)-2-piperidinone, C11H12N2O3 (366)

Qing Wang, Ya Ping Li, Shan Shan Li, Bin Tang and Hui Li
Powder X-ray diffraction of 1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-2(1H)-pyridinone, C15H19N3O2 (367)

Qing Wang, Bin Tang, Pei Xiao Tang, Jia Wei He and Hui Li
Powder X-ray diffraction of 3-(4-Morpholinyl)-1-(4-nitrophenyl)-5,6-dihydro-2(1H)-pyridinone, C15H17N3O(368)

DATA REPORTS

J.A. Kaduk, K. Zhong, T.N. Blanton, S. Gates and T.G. Fawcett
Powder X-ray diffraction of levothyroxine sodium pentahydrate, C15H10I4NNaO4(H2O)5 (370)

Yan Mei Huang, Hong Qin Yang, Shou Jun Zheng, Pei Xiao Tang and Hui Li
X-ray powder diffraction data for letrozole (C17H11N5) (372)

Liu Qi Guo, Kai Lin Xu, Xiao Li Ma, Shan Shan Li and Hui Li
X-ray powder diffraction data for niclosamide, C13H8N2O4Cl2 (375)

INTERNATIONAL REPORTS

Denise Zulli
Summary of 2015 DXC and TXRF 2015 (378)

CALENDARS

Gang Wang – Calendar of Forthcoming Meetings (382)

Gang Wang – Calendar of Short Courses & Workshops (383)

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