Powder Diffraction Journal
Volume 37 – 2022
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.
Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423
Powder Diffraction – Vol. 37 Number 1 – March 2022
Editorial
Nicole Ernst Boris
New year: new changes for PDJ (p. 1)
▸ DOI: 10.1017/S088571562200001X
TECHNICAL ARTICLES
Emma L. Markun and James A. Kaduk
Crystal structures of lanthanide terephthalate tetrahydrate, R2(C8H4O4)3(H2O)4, R= La–Er
(pp. 2 – 12)
▸ DOI: 10.1017/S0885715622000033
Takashi Ida
Convolution and deconvolutional treatment on sample transparency aberration in Bragg–Brentano geometry (pp. 13 – 21)
▸ DOI: 10.1017/S0885715622000021
Soheil Alee, Morteza Asemi, Mina Soltanmohammadi and Majid Ghanaatshoar
Phase evolution studies of mechanochemical-prepared Cu2ZnSnS4 powder via comprehensive annealing and milling investigation (pp. 22 – 33)
▸ DOI: 10.1017/S0885715621000646
Hui Li, Meng He and Ze Zhang
Method of calculating the coherent scattering power of crystals with unknown atomic arrangements and its application in the quantitative phase analysis (pp. 34 – 39)
▸ DOI: 10.1017/S0885715621000609
DATA REPORT
Hua Shao, Zhen Wang, Shu Xie and Bin Liu
X-ray powder diffraction data for rivaroxaban, C19H18ClN3O5S (pp. 40 – 42)
▸ DOI: 10.1017/S0885715621000634
INTERNATIONAL REPORT
Norberto Masciocchi, Jorge A. R. Navarro and Antonietta Guagliardi
To.Sc.Al’And: total scattering for nanotechnology in Al’Andalus (pp. 43- 46)
▸ DOI: 10.1017/S088571562100066X
CALENDARS OF MEETINGS, SHORT COURSES AND WORKSHOPS
Gang Wang
Calendar of Forthcoming Meetings (pp. 47 – 48)
▸ DOI: 10.1017/S0885715621000671
Gang Wang
Calendar of Short Courses and Workshops (p. 49)
▸ DOI: 10.1017/S0885715621000683
ADDENDUM
Hui Li, Meng He and Ze Zhang
Method of calculating the coherent scattering power of crystals with unknown atomic arrangements and its application in the quantitative phase analysis — ADDENDUM (p. 50)
▸ DOI: 10.1017/S0885715622000069
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.
Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423
Powder Diffraction – Vol. 37 Number 2 – June 2022
EDITORIAL
Camden R. Hubbard
Editorial (p. 51)
▸ DOI: 10.1017/S0885715622000227
PROCEEDINGS PAPERS
Mark A. Rodriguez, Jamin Pillars, Nichole R. Valdez, James J. M. Griego, Matthew V. Gallegos, John A. Krukar, Andrew Polonsky and Steven L. Wolfley
Texture and strain analysis of tungsten films via Tilt-A-Whirl methodology (p. 52)
▸ DOI: 10.1017/S0885715622000203
Tomohiro Shibata
Inverse pole figure of CVD coatings of metal cutting tools using an XRD Bragg Brentano geometry(p. 62)
▸ DOI: 10.1017/S0885715622000197
T. G. Fawcett, J. R. Blanton, S. N. Kabekkodu, T. N. Blanton, J. Lyza and D. Broton
Best references for the QPA of Portland cement (p. 68)
▸ DOI: 10.1017/S0885715622000215
INSTRUMENTATION, ANALYSIS AND LABORATORY DEVELOPMENTS
Bob B. He
Crystallite size distribution by two-dimensional XRD (p. 76)
▸ DOI: 10.1017/S0885715622000045
TECHNICAL ARTICLE
Mayra Guamán-Ayala, Pablo V. Tuza and Mariana M. V. M. Souza
Cation reducibility of LaNi0.5Ti0.5O3, LaNi0.5Ti0.45Co0.05O3, and LaNi0.45Co0.05Ti0.5O3 perovskites from X-ray powder diffraction data using the Rietveld method (p. 84)
▸ DOI: 10.1017/S0885715622000112
NEW DIFFRACTION DATA
Kaitong Sun, Yinghao Zhu, Si Wu, Junchao Xia, Pengfei Zhou, Qian Zhao, Chongde Cao and Hai-Feng Li
Temperature-dependent structure of an intermetallic ErPd2Si2 single crystal: a combined synchrotron and in-house X-ray diffraction study (p. 91)
▸ DOI: 10.1017/S0885715622000100
James A. Kaduk, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of a second polymorph of germacrone, C15H22O (p. 98)
▸ DOI: 10.1017/S0885715622000057
Zhi Qiang Li, Shan Zhai Shang, Xiao Xiang Liao, Ping Lei, Jing Mei Han, Bin Yi, Ji Yang, Qi Yi Zhang, Zi Li Suo and Hui Li
X-ray powder diffraction data for nicotine 2,6-dihydroxybenzoate, C10H15N2C7H5O4 (p. 105)
▸ DOI: 10.1017/S0885715622000070
Gerzon E. Delgado, Cecilia Chacón, Gustavo Marroquin, Jonathan Cisterna and Iván Brito
X-ray powder diffraction data for the second and third polymorphs of 1-methylhydantoin (p. 108)
▸ DOI: 10.1017/S0885715622000136
INTERNATIONAL REPORT
Fan Zhang
TMS 2022 Annual Meeting & Exhibition Report (p. 115)
▸ DOI: 10.1017/S0885715622000124
CALENDARS OF MEETINGS, SHORT COURSES AND WORKSHOPS
Gang Wang
Calendar of Forthcoming Meetings (p. 117)
▸ DOI: 10.1017/S0885715622000161
Gang Wang
Calendar of Short Courses and Workshops (p. 119)
▸ DOI: 10.1017/S0885715622000173
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.
Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423
Powder Diffraction – Vol. 37 Number 3 – September 2022
EDITORIAL
Camden R. Hubbard
Recent readership and impact metrics for the Journal Powder Diffraction (PDJ) (p. 121)
▸ DOI: 10.1017/S0885715622000306
TECHNICAL ARTICLES
Winnie Wong-Ng, Yuqi Yang, YuCheng Lan, Guangyao Liu, Amrit Kafle, Weifang Liu, Jie Hou, Donald Windover, Qing Huang, Sergiy Krylyuk and James A. Kaduk
Powder X-ray structural analysis and bandgap measurements for (CaxSr2−x)MnWO6 (x = 0.25, 0.5, 0.75, 1.5, 1.75) (p. 122)
▸ DOI: 10.1017/S0885715622000185
Chenjing Liang, Jianghai Zhuang, Chenghan Zhuang, Zhaoxia Zhang, Guanglie Lv and Guoqing Zhang
Crystal morphology prediction and experimental verification of venlafaxine hydrochloride (p. 133)
▸ DOI: 10.1017/S0885715622000264
NEW DIFFRACTION DATA
James A. Kaduk, Stacy Gates-Rector, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of merimepodib, C23H24N4O6 (p. 143)
▸ DOI: 10.1017/S0885715622000148
Yewon Lee, Yulong Wang, Peter G. Khalifah,Peter W. Stephens, James A. Kaduk, Stacy Gates-Rector, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of baricitinib, C16H17N7O2S (p. 150)
▸ DOI: 10.1017/S088571562200015X
James A. Kaduk, Nicholas C. Boaz, Stacy D. Gates-Rector, Amy M. Gindhart and Thomas N. Blanton
Crystal structure of fulvestrant hydrate (ethyl acetate), C32H47F5O3S (H2O)0.16(C44H8O2)0.025 (p. 157)
▸ DOI: 10.1017/S0885715622000239
Dier Shi, Jiyong Liu and Xiurong Hu
Crystal structure and X-ray powder diffraction data for two solid-state forms of topiroxostat (p. 166)
▸ DOI: 10.1017/S088571562200029X
James A. Kaduk
Crystal structure of alfuzosin hydrochloride, C19H28N5O4Cl (p. 171)
▸ DOI: 10.1017/S0885715622000288
INTERNATIONAL REPORT
Susan A. Bourne
ePCCr: an online conference organized jointly with the African Light Source and the African Physical Society (p. 183)
▸ DOI: 10.1017/S0885715622000276
CALENDARS OF MEETINGS, SHORT COURSES AND WORKSHOPS
Gang Wang
Calendar of forthcoming meetings (p. 187)
▸ DOI: 10.1017/S0885715622000318
Gang Wang
Calendar of short courses and workshops (p. 188)
▸ DOI: 10.1017/S088571562200032X
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.
Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423
Powder Diffraction – Vol. 37 Number 4 – December 2022
Editorial
Camden R. Hubbard
Advancing X-ray powder data compilation and crystal structures of pharmaceutical compounds (p. 189)
▸ DOI: 10.1017/S0885715622000537
Technical Article
Kezhou Yan, Yaru Guo, Yuanyuan Zhang, Yanxia Guo and Fangqin Cheng
Comparative study of the isothermal solid-state reaction systems of kaolinite–Na2CO3 and kaolinite–quartz–Na2CO3 for coal gangue activation (p. 190)
▸ DOI: 10.1017/S0885715622000434
New Diffraction Data
James A. Kaduk, Amy M. Gindhart,Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of aminopentamide hydrogen sulfate, (C19H25N20)(HSO4) (p. 200)
▸ DOI: 10.1017/S0885715622000343
James A. Kaduk, Amy M. Gindhart, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of imepitoin, C13H14ClN3O2 (p. 206)
▸ DOI: 10.1017/S0885715622000392
James A. Kaduk, Amy M. Gindhart, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of nequinate, C22H23NO4 (p. 211)
▸ DOI: 10.1017/S0885715622000379
Analio J. Dugarte-Dugarte, Robert A. Toro, Jacco van de Streek, JosÈ Antonio Henao, Graciela DÌaz de Delgado and JosÈ Miguel Delgado
Crystal structure from laboratory X-ray powder diffraction data, DFT-D calculations,and Hirshfeld surface analysis of (S)-dapoxetine hydrochloride (p. 216)
▸ DOI: 10.1017/S0885715622000380
James A. Kaduk, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of ponazuril, C18H14F3N3O6S (p. 225)
▸ DOI: 10.1017/S0885715622000409
James A. Kaduk,Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of diclazuril, C17H9Cl3N4O2 (p. 230)
▸ DOI: 10.1017/S0885715622000410
James A. Kaduk,Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of haloxon, C14H14Cl3O6P (p. 235)
▸ DOI: 10.1017/S0885715622000422
Data Report
James A. Kaduk, Amy M. Gindhart, Stacy Gates-Rector and Thomas N. Blanton
Powder X-ray diffraction of altrenogest, C21H26O2 (p. 240)
▸ DOI: 10.1017/S0885715622000331
International Report
Stephanie Jennings
71st Annual Denver X-ray Conference Report (p. 242)
▸ DOI: 10.1017/S0885715622000458
Calendars of Meetings, Short Courses and Workshops
Gang Wang
Calendar of short courses and workshops (p. 248)
▸ DOI: 10.1017/S0885715622000483
Gang Wang
Calendar of forthcoming meetings (p. 249)
▸ DOI: 10.1017/S0885715622000471