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Powder Diffraction Journal
Volume 31 – 2016

Powder Diffraction – Vol. 31 Number 1 – March 2016

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.  For information about subscribing please contact:

Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423

EDITORIAL

Camden Hubbard
Major Anniversaries in 2016 (1)

TECHNICAL ARTICLES

Mei Zhao, Lifeng Dong, Qian Zhang, Hongzhou Dong, Chengdong Li and Hongyan Tang
Novel plate-stratiform nanostructured Bi12O17Cl2 with visible-light photocatalytic performance (2)

Ryosuke S. S. Maki, Peter E. D. Morgan and Yoshikazu Suzuki
X-ray powder diffraction characterization of the large-volume unit cell of the M8 murataite polytype (8)

H. Wang, M. J. Kirkham, T. R. Watkins, E. A. Payzant, J. R. Salvador, A. J. Thompson, J. Sharp, D. Brown and D. Miller
Neutron and X-ray powder diffraction study of skutterudite thermoelectrics (16)

A. Pentón-Madrigal, Y. Mendez-González, A. Peláiz-Barranco, F. Calderón-Piñar, L. A. S. de Oliveira, J. Belhadi and Y. Gagou
Study of A and B sites order in lanthanide-doped lead titanate ferroelectric system (23)

Margarit M. Nistor, Nicolae Har, Simona Marchetti Dori, Simona Bigi and Alessandro F. Gualtieri
Progress in mineralogical quantitative analysis of rock samples: application to quartzites from Denali National Park, Alaska Range (USA) (31)

Changlin Yang, Guanghua Wen, Ping Tang, Chaochao Xi and Qihao Sun
Quantification of crystalline fraction of solid slag film using X-ray powder diffraction (40)

NEW DIFFRACTION DATA

YuanZhi Li, PeiXiao Tang, KaiLin Xu, ShanShan Li, LiuQi Guo and Hui Li
X-ray powder diffraction data for tectoridin, C22H22O11 (52)

R. Pažout, J. Maixner, J. Svoboda and P. Kačer
X-ray powder diffraction data for [amminedichloro(3,5-dimethyl-tricyclo[3.3.1.13,7] decan-1-amine)-platinum (II) complex (55)

Martin Etter, Maximilian J. Krautloher, Nakheon Sung, Joel Bertinshaw, Bumjoon Kim and Robert E. Dinnebier
Crystal structure determination of non-stoichiometric Ca4−xRuO6−x (x = 1.17) from X-ray powder diffraction data (59)

Qing Wang, Qiao Mei Sun, Shan Shan Li, Liu Qi Guo and Hui Li
X-ray powder diffraction data for drospirenone, C24H30O3 (63)

H. A. Camargo, J. A. Henao and N. J. Castellanos
Synthesis and X-ray diffraction data for dibromo-dioxo-(1,10-phenanthroline-N,N′)-molybdenum(VI) (C12H8N2MoBr2O2) (66)

RAPID COMMUNICATIONS

Mark A. Rodriguez, Philippe E. Weck, Joshua D. Sugar and Thomas J. Kulp
Powder X-ray diffraction of Metastudtite, (UO2)O2(H2O)2 (71)

DATA REPORTS

Xiaochun Chen, Peixiao Tang, Shanshan Li, Kailin Xu and Hui Li
X-ray powder diffraction data for olmesartan medoxomil, C29H30N6O6 (73)

G. Murugesan, R. Nithya and S. Kalainathan
Rietveld refinement of X-ray powder diffraction data of Sm0.55Sr0.45MnO3 polycrystalline material (77)

Hong Qin Yang, Qing Wang, Pei Xiao Tang, Bin Tang, Ya Ping Li and Hui Li
X-ray powder diffraction data for thiamphenicol, C12H15Cl2NO5S (80)

INTERNATIONAL REPORTS

Helen McDonnell
2015 American Association of Pharmaceutical Scientists (83)

Andrew Allen
Report on 16th International Conference on Small-Angle Scattering (SAS 2015) Berlin, Germany, September 13–18, 2015 (84)

CALENDARS

Gang Wang
Calendar of Forthcoming Meetings (85)

Gang Wang
Calendar of Short Courses & Workshops (87)

Powder Diffraction – Vol. 31 Number 2 – June 2016

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.  For information about subscribing please contact:

Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423

EDITORIAL

Blanton, T
The Denver X-ray Conference – celebrating 65 years of bringing together the high-energy scattering community
pp 89-89
doi: 10.1017/S0885715616000117

TECHNICAL ARTICLES

Monitoring of CoS2 reactions using high-temperature XRD coupled with gas chromatography (GC)
Mark A. Rodriguez and Eric N. Coker and James J. M. Griego and Curtis D. Mowry and Adam S. Pimentel and Travis M. Anderson – pp 90-96
doi: 10.1017/S0885715616000166

Crystal structure of rivastigmine hydrogen tartrate Form I (Exelon®), C14H23N2O2(C4H5O6)
James A. Kaduk and Kai Zhong and Amy M. Gindhart and Thomas N. Blanton – pp 97-103
doi: 10.1017/S0885715616000038

High-energy synchrotron X-ray diffraction measurements of simple bending of pseudoelastic NiTi shape memory alloy wires
Baozhuo Zhang and Marcus L. Young – pp 104-109
doi: 10.1017/S0885715616000154

Synthesis, crystal structure, and thermal stability of new borates Na3REB2O6 (RE = Pr, Sm, Eu)
Zhixun Wang and Hangkong Li and Gemei Cai and Zhanpeng Jin – pp 110-117
doi: 10.1017/S0885715616000051

Crystal structure of mupirocin form I, C26H44O9
James A. Kaduk and Kai Zhong and Amy M. Gindhart and Thomas N. Blanton – pp 118-125
doi: 10.1017/S088571561600004X

X-ray and neutron total scattering analysis of Hy · (Bi0.2Ca0.55Sr0.25)(Ag0.25Na0.75) Nb3O10 · xH2O perovskite nanosheet booklets with stacking disorder
Peter Metz and Robert Koch and Bernadette Cladek and Katharine Page and Joerg Neuefeind and Scott Misture – pp 126-134
doi: 10.1017/S0885715616000129

Crystal structure of paliperidone, C23H27FN4O3
James A. Kaduk and Kai Zhong and Amy M. Gindhart and Thomas N. Blanton – pp 135-141
doi: 10.1017/S0885715616000087

Crystal structure of choline fenofibrate (Trilipix®), (C5H14NO) (C17H14ClO4)
James A. Kaduk and Kai Zhong and Amy M. Gindhart and Thomas N. Blanton – pp 142-148
doi: 10.1017/S0885715616000099

NEW DIFFRACTION DATA

Synthesis and X-ray diffraction data of 2-morpholino-2-(3,4,5-trimethoxyphenyl)acetonitrile, (C15H20N2O4)
Jose H. Quintana Mendoza and J. A. Henao and Aurora L. Carreño Otero and Vladimir V. Kouznetsov – pp 149-152
doi: 10.1017/S0885715616000075

X-ray powder diffraction data for trelagliptin succinate, C18H20FN5O2•C4H6O4
Liu Qi Guo and Shou Jun Zheng and Xiao Li Ma and Hui Li – pp 153-154
doi: 10.1017/S0885715615001025

X-ray powder diffraction data for 2-[((3R)-5-oxo-4-phenyltetrahy drofuran-3-yl)methyl]isoindoline-1,3-dione, C19H15NO4
Shoujun Zheng and Kailin Xu and Qing Wang and XiaoLin Tang and Yanmei Huang and Pei Xiao Tang and Lijuan Chen and Hui Li – pp 155-158
doi: 10.1017/S0885715616000105

DATA REPORT

X-ray powder diffraction data for 5-chloro-N-(4-(5,6-dihydro-3-(4-morpholinyl)-2-oxo-1(2H)-pyridinyl)phenyl)-pentanamide, C20H26ClN3O3
Qing Wang and Dan Guo and Bin Tang and Hui Li – pp 159-161
doi: 10.1017/S0885715616000063

INTERNATIONAL REPORT

The 2015 Materials Science & Technology (MS&T15) Conference & Exhibition
Winnie Wong-Ng – pp 162-163
doi: 10.1017/S0885715615001037

CALENDARS

Calendar of Short Courses & Workshops
Gang Wang – pp 164-164
doi: 10.1017/S0885715616000142

Calendar of Forthcoming Meetings
Gang Wang – pp 165-166
doi: 10.1017/S0885715616000130

Powder Diffraction – Vol. 31 Number 3 – September 2016

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.  For information about subscribing please contact:

Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423

Exciting Content in the September 2016 Issue
Camden Hubbard pp 167-167
doi: 10.1017/S0885715616000403

Quantitative anomalous powder diffraction analysis of cation disorder in kesterite semiconductors
Daniel M. Többens and Rene Gunder and Galina Gurieva and Julien Marquardt and Kai Neldner and Laura E. Valle-Rios and Stefan Zander and Susan Schorr – pp 168-175
doi: 10.1017/S0885715616000191

Crystal structure of citalopram hydrobromide, C20H22FN2OBr
James A. Kaduk and Kai Zhong and Amy M. Gindhart and Thomas N. Blanton – pp 176-184
doi: 10.1017/S0885715616000178

Effect of organic matter on the Rietveld quantitative analysis of crystalline minerals in coal gangue
Kezhou Yan and Yanxia Guo and Xiaoxiao Wu and Fangqin Cheng – pp 185-191
doi: 10.1017/S088571561600018X

Quantitative phase analysis of challenging samples using neutron powder diffraction. Sample #4 from the CPD QPA round robin revisited
Pamela S. Whitfield – pp 192-197
doi: 10.1017/S088571561600021X

Developing a method for the evaluation of dislocation parameters from the Rietveld refinement procedure
Saba Khalili and Vishtasb Soleimanian and Ali Mokhtari – pp 198-204
doi: 10.1017/S0885715616000270

The crystal structure of trandolapril, C24H34N2O5: an example of the utility of raw data deposition in the powder diffraction file
Joel W. Reid and James A. Kaduk and Martin Vickers – pp 205-210
doi: 10.1017/S0885715616000294

Certification of standard reference material 1878b respirable α-quartz
David R. Black and Marcus H. Mendenhall and Donald Windover and Albert Henins and James Filliben and James P. Cline – pp 211-215
doi: 10.1017/S0885715616000336

Experimental estimation of uncertainties in powder diffraction intensities with a two-dimensional X-ray detector
Takashi Ida – pp 216-222
doi: 10.1017/S0885715616000324

X-ray powder diffraction reference patterns for Bi1−xPbxOCuSe
W. Wong-Ng and Y. Yan and J.A. Kaduk and X.F. Tang – pp 223-228
doi: 10.1017/S0885715616000361

Synthesis, characterization, and crystal structure of two zinc linear dicarboxylates
Berenice Torruco Baca and Luis Felipe del Castillo and Paula Vera-Cruz and Rubén A. Toscano and Joelis Rodríguez-Hernández and Jorge Balmaseda – pp 229-232
doi: 10.1017/S0885715616000221

X-ray diffraction data of 4-phenyl-6-(trifluoromethyl)-3,4-dihydroquinolin-2(1H)-one and its synthetic precursor N-[4-(trifluoromethyl)phenyl] cinnamamide
Jose H. Quintana Mendoza and J. A. Henao and Carlos E. Rondón Flórez and Carlos E. Puerto Galvis and Vladimir V. Kouznetsov – pp 233-239
doi: 10.1017/S0885715616000282

Powder diffraction data of the AlCeCo2Ni2 quaternary compound
Liuqing Liang and Chenzhong Jia and Degui Li and Lingmin Zeng and RanCheng Mo – pp 240-241
doi: 10.1017/S0885715616000300

X-ray powder diffraction data for the N-acylamino acids: ortho, meta, and para-methyl hippuric acids
Gerzon E. Delgado and Marilia Guillén and Jeans W. Ramírez and Asiloé J. Mora and Jines E. Contreras and Cecilia Chacón – pp 242-247
doi: 10.1017/S0885715616000312

X-ray powder diffraction data for Palbociclib, C24H29N7O2
Shoujun Zheng and Jiankun Peng and Kailin Xu and Pei Xiao Tang and Xiaoli Ma and Yanmei Huang and Lijuan Chen and Hui Li – pp 248-250
doi: 10.1017/S0885715616000233

ICDD Spring Meetings Week
Monika Kottenhahn and Eileen Jennings – pp 251-252
doi: 10.1017/S0885715616000415

TMS 2016 145th Annual Meeting & Exhibition
Lan Li – pp 253-254
doi: 10.1017/S0885715616000269

Calendar of Forthcoming Meetings
Gang Wang – pp 255-255
doi: 10.1017/S0885715616000348

Calendar of Short Courses & Workshops
Gang Wang – pp 256-256
doi: 10.1017/S088571561600035X

Powder Diffraction – Vol. 31 Number 4 – December 2016

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.  For information about subscribing please contact:

Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423

TECHNICAL ARTICLES

X-ray diffraction and density functional theory studies of R(Fe0.5Co0.5)O3 (R = Pr, Nd, Sm, Eu, Gd)
W. Wong-Ng, G. Liu, I. Levin, I. Williamson, P. Ackerman, K. R. Talley, J. Martin, K. AlHamdan, W. Badegaish, J. A. Kaduk and L. Li – pp 259
DOI: https://doi.org/10.1017/S088571561600049X

Curvature determination of embedded silicon chips by in situ rocking curve X-ray diffraction measurements at elevated temperatures
Paul Angerer, Ronald Schöngrundner, Katerina Macurova, Manfred Wiessner and Jozef Keckes – pp 267
DOI: https://doi.org/10.1017/S0885715616000488

Crystal structure of norgestimate, C23H31NO3
James A. Kaduk, Amy M. Gindhart and Thomas N. Blanton – pp 274
DOI: https://doi.org/10.1017/S088571561600052X

Crystal chemistry and X-ray diffraction patterns for Co(NixZn1−x)Nb4O12 (x = 0.2, 0.4, 0.6, 0.8)
G. Liu, W. Wong-Ng and J. A. Kaduk – pp 279
DOI: https://doi.org/10.1017/S0885715616000531

NEW DIFFRACTION DATA

Synthesis and crystal structure refinement of new perovskite oxides, Dy0.55Sr0.45Mn1−xFexO3 (x = 0.0 and 0.2) from X-ray powder diffraction data
K. Yadagiri and R. Nithya – pp 285
DOI: https://doi.org/10.1017/S0885715616000397

X-ray powder diffraction data for 5, 6-dihydro-3-(4-morpholinyl)- 1-[4-(2-oxo-1-piperidinyl)phenyl]-2(1H)-pyridinone, C20H25N3O3
Qing Wang, Xia Zeng, Shan Shan Li, Xiao Li Ma and Hui Li – pp 288
DOI: https://doi.org/10.1017/S0885715616000385

Preparation and crystal structure of garnet-type calcium zirconium germanate Ca4ZrGe3O12
V. D. Zhuravlev, A. P. Tyutyunnik and N. I. Lobachevskaya – pp 292
DOI: https://doi.org/10.1017/S0885715616000506

DATA REPORTS

X-ray powder diffraction data for menthyl lactate, C13H24O3
Xiaoxiang Liao, Jianguo Tang, Dalin Yuan, Yanmei Huang, Hongqin Yang, Wei Zhao, Ji Yang, Ying Fan and Hui Li – pp 295
DOI: https://doi.org/10.1017/S0885715616000439

X-ray powder diffraction data for deferasirox, C21H15N3O4
Qiaohong Du, Qing Wang, Xinnuo Xiong, Xia Zeng and Hui Li – pp 298
DOI: https://doi.org/10.1017/S0885715616000476

X-ray powder diffraction data for monomenthyl succinate, C14H24O4
Xiaoxiang Liao, Dalin Yuan, Ying Fan, Hongqin Yang, Yanmei Huang, Ji Yang, Wei Zhao, Hui Li and Jianguo Tang – pp 301
DOI: https://doi.org/10.1017/S0885715616000427

CORRIGENDUM

Certification of standard reference material 1878b respirable α-quartz – CORRIGENDUM
David R. Black, Marcus H. Mendenhall, Pamela S. Whitfield, Donald Windover, Albert Henins, James Filliben and James P. Cline – pp 304
DOI: https://doi.org/10.1017/S0885715616000580

INTERNATIONAL REPORTS

2016 Denver X-ray Conference (DXC)
Denise Zulli – pp 305
DOI: https://doi.org/10.1017/S0885715616000579

2016 British Crystallographic Association (BCA) Spring Meeting, April 4–7, 2016
David Rendle – pp 308
DOI: https://doi.org/10.1017/S0885715616000464

CALENDAR

Calendar of Forthcoming Meetings
Gang Wang – pp 313
DOI: https://doi.org/10.1017/S0885715616000543

Calendar of Short Courses & Workshops
Gang Wang – pp 314
DOI: https://doi.org/10.1017/S0885715616000555

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