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Powder Diffraction Journal
Volume 35 – 2020

Powder Diffraction – Vol. 35 Number 1 – March 2020

PDJ Vol 35 Issue 1

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.

Editorials

Camden Hubbard and Nicole Ernst Boris
New PDJ News and Reminders (p. 1)
DOI: 10.1017/S088571562000007X

Craig M. Brown and Winnie Wong-Ng
Special Section – Crystallography and Properties of Metal–organic Framework (MOF) Compounds
(p. 2)
DOI: 10.1017/S0885715620000093

Invited Paper

Jonathan B. Lefton, Kyle B. Pekar, Daniel Sethio, ElfiKraka and Tomče Runčevski
Crystal Structure of 1-propanethiol–Co2(dobdc) from Laboratory X-ray Powder Diffraction Data
(pp. 3-6)
DOI: 10.1017/S0885715620000081

Technical Articles

Pavle Tančić, Aleksandar Kremenović and Predrag Vulić
Structural Dissymmetrization of Optically Anisotropic Grs64±1Adr36±1Sps2 Grandite from Meka Presedla (Kopaonik Mt., Serbia) (pp. 7-16)
DOI: 10.1017/S0885715619000897

David R. Black, Marcus H. Mendenhall, Craig M. Brown, Albert Henins, James Filliben and James P. Cline
Certification of Standard Reference Material 660c for Powder Diffraction (pp. 17-22)
DOI: 10.1017/S0885715620000068

Yali Su, Dayong Lu and Shan Wang
Characterization and Rietveld Refinements of New Dense Ceramics Ba3−xSrxTb3−xCexO9 (x = 1 and 1.5) Perovskites (pp. 23-30)
DOI: 10.1017/S0885715620000056

New Diffraction Data

G. Murugesan, R. Nithya and S. Kalainathan
Rietveld Refinement of Sm0.55Sr0.45Mn0.4Fe0.6O3 (pp. 31-33)
DOI: 10.1017/S0885715619000848

James A. Kaduk, Amy M. Gindhart and Thomas N. Blanton
Crystal Structure of Bisoprolol Fumarate Form I, (C18H32NO4) (C4H2O4)0.5 (pp. 34-40)
DOI: 10.1017/S0885715619000757

Fausto M. Güiza, Arnold R. Romero Bohórquez, J. A. Henao and H. A. Camargo
Synthesis and X-ray Diffraction Data of (4R)-methyl-3-(1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonyl)thiazolidin-4-carboxylate, C14H13ClN4O3S (pp. 41-44)
DOI: 10.1017/S088571561900085X

James A. Kaduk, Amy M. Gindhart and Thomas N. Blanton
Crystal Structures of Two Polymorphs of Alclometasone Dipropionate, C28H37ClO7 (pp. 45-52)
DOI: 10.1017/S0885715619000940

Diana Gonzalez, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart and Thomas N. Blanton
Crystal Structure of Pantoprazole Sodium Sesquihydrate Form I, C16H14F2N3O4SNa(H2O)1.5 (pp. 53-60)
DOI: 10.1017/S0885715620000019

Shivang Bhaskar, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart and Thomas N.
Blanton

Crystal Structure of Ipratropium Bromide Monohydrate, C20H30NO3Br(H2O) (pp. 61-66)
DOI: 10.1017/S0885715620000020

Data Reports

Nilan V. Patel, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart and Thomas N. Blanton
Powder X-ray Diffraction of Flucytosine, C4H4FN3O (pp. 67-68)
DOI: 10.1017/S0885715619000903

Jerry Hong, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart and Thomas N. Blanton
Powder X-ray Diffraction of Trimethoprim Form I, C14H18N4O3 (pp. 69-70)
DOI: 10.1017/S0885715619000927

Diana Gonzalez, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart and Thomas N. Blanton
Powder X-ray Diffraction of Fluorometholone, C22H29FO4 (pp. 71-72)
DOI: 10.1017/S0885715619000915

Calendars of Meetings, Short Courses and Workshops

Gang Wang
Calendar of Short Courses and Workshops (p. 73)
DOI: 10.1017/S0885715620000044

Gang Wang
Calendar of Forthcoming Meetings (pp. 74-75)
DOI: 10.1017/S0885715620000032

International Report

Denise Zulli
68th Annual Denver X-ray Conference Report (pp. 76-78)
DOI: 10.1017/S0885715619000861

Erratum

James Kaduk, Amy M. Gindhart and Thomas N. Blanton
Crystal Structure of Cloxacillin Sodium Monohydrate, C19H17CIN3O5SNa(H2O) — ERRATUM (p. 79)
DOI: 10.1017/S0885715619000939

Corrigendum

Camden Hubbard
Denver X-ray Conference Comments and Reflections on Current Issue of Powder Diffraction Journal (PDJ) — CORRIGENDUM. (p. 80)
DOI: 10.1017/S0885715618000866

Powder Diffraction – Vol. 35 Number 2 – June 2020

PDJ June 2020

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.

Editorials

Camden Hubbard
Selected papers from the 2019 Denver X-ray Conference (p. 81)
▸ DOI: 10.1017/S0885715620000275

Proceedings Papers

T. G. Fawcett, S. Gates-Rector, A. M. Gindhart, M. Rost, S. N. Kabekkodu, J. R. Blanton, T. N. Blanton
Total pattern analyses for non-crystalline materials (pp. 82 – 88)
▸ DOI: 10.1017/S0885715620000263

Mark A. Rodriguez, Katharine L. Harrison, Subrahmanyam Goriparti, James J. M. Griego, Brad L. Boyce, Brian R. Perdue
Use of a Be-dome holder for texture and strain characterization of Li metal thin films via sin2(ψ) methodology (pp. 89 – 97)
▸ DOI: 10.1017/S0885715620000305

Nasser M. Hamdan, Hussain Alawadhi
X-ray diffraction as a major tool for the analysis of PM2.5 and PM10 aerosols (pp. 98 – 103)
▸ DOI: 10.1017/S0885715620000184

John R. Sieber
How to use and how not to use certified reference materials in industrial chemical metrology laboratories (pp. 104 – 111)
▸ DOI: 10.1017/S0885715620000202

Sioan Zohar, Chun Hong Yoon
Bi-cross validation of spectral clustering hyperparameters (pp. 112 – 116)
▸ DOI: 10.1017/S0885715620000214

R. Free, K. DeRocher, R. Xu, D. Joester, S. R. Stock
A method for mapping submicron-scale crystallographic order/disorder applied to human tooth enamel (pp. 117 – 123)
▸ DOI: 10.1017/S0885715620000251

New Diffraction Data

Alicja Rafalska-Łasocha, Michał Duda, Wiesław Łasocha
X-ray powder diffraction data for three new 3-ethylanilinium molybdates (pp. 124 – 128)
▸ DOI: 10.1017/S0885715620000123

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Crystal structure of atazanavir, C38H52N6O7 (pp. 129 – 135)
▸ DOI: 10.1017/S0885715620000135

Ryan L. Hodge, James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Crystal structure of atorvastatin calcium trihydrate Form I (Lipitor®), (C33H34FN2O5)2Ca(H2O)3 (pp. 136 – 143)
▸ DOI: 10.1017/S0885715620000147

Rapid communication

Silvina Pagola
Crystal and molecular structure of fenspiride, C15H20N2O2 (pp. 144 – 146)
▸ DOI: 10.1017/S0885715620000159

International Report

Winnie Wong-Ng
The 2019 Materials Science & Technology (MS&T19) Conference and Exhibition
(pp. 147 – 149)
▸ DOI: 10.1017/S0885715620000196

Calendars of Meetings, Short Courses and Workshops

Gang Wang
Calendar of Forthcoming Meetings (pp. 150 – 151)
▸ DOI: 10.1017/S0885715620000160

Gang Wang
Calendar of Short Courses and Workshops (pp. 152 – 153)
▸ DOI: 10.1017/S0885715620000172

Powder Diffraction – Vol. 35 Number 3 – September 2020

PDJ Sept 35-3

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
COVID-19 impact on colleagues in the powder diffraction community (p. 155)
▸ DOI: 10.1017/S0885715620000469

Technical Article

David R. Black, Marcus H. Mendenhall, Albert Henins, James Filliben, & James P. Cline
Certification of SRM 640f line position and line shape standard for powder diffraction (pp. 156–159)
▸ DOI: 10.1017/S0885715620000366

Jan Rohlíček, Vít Zvoníček, Eliška Skořepová, & Miroslav Šoóš
Testing the flow-through capillary for the study of re-solvation processes in pharmaceutical compounds (pp. 160 –165)
▸ DOI: 10.1017/S0885715620000354

Takashi Ida
Application of deconvolutional treatment to powder diffraction data collected with a Bragg-Brentano diffractometer with a contaminated Cu target and a Ni filter (pp. 166–177)
▸ DOI: 10.1017/S0885715620000445

Yunhui Tang, Bo Wang, Rui Xue, & Hui Yan
Grazing incidence X-ray diffraction measurement of silver nanoparticles in metal-assisted etching of silicon (pp. 178–184)
▸ DOI: 10.1017/S0885715620000317

Pavol Mikula, Jan Saroun, Vasyl Ryukhtin, & James Stammers
An alternative neutron diffractometer performance for strain/stress measurements (pp. 185–189)
▸ DOI: 10.1017/S0885715620000329

Joel W. Reid, James A. Kaduk, & Peter E. R. Blanchard
Crystal structure and X-ray absorption spectroscopy of trimethylarsine oxide dihydrate, (CH3)3AsO⋅2H2O (pp. 190–196)
▸ DOI: 10.1017/S0885715620000421

W. Wong-Ng, G. Y. Liu, D. D. Shi, Y. Q. Yang, R. Derbeshi, D. Windover, & J. A. Kaduk
Crystal chemistry, X-ray diffraction reference patterns, and bandgap studies for (BaxSr1–x)2CoWO6 (x = 0.1, 0.2, 0.3, 0.5, 0.7, and 0.9) (pp. 197–205)
▸ DOI: 10.1017/S0885715620000342

New Diffraction Data

Diana Gonzalez, Joseph T. Golab, Jan Y. Eilert, Rong Wang, & J. A. Kaduk
Crystal structure of ceftriaxone sodium hemiheptahydrate, C18H16N8O7S3Na2(H2O)3.5 (pp. 206–212)
▸ DOI: 10.1017/S0885715620000299

Xin Wei, Zi Li Suo, Man Zhang, Pei Xiao Tang, & Hui Li
X-ray powder diffraction data for eluxadoline nitrate monohydrate, C32H35N5O5⋅2HNO3⋅H2O
(pp. 213–215)
▸ DOI: 10.1017/S0885715620000378

Data Report

Ryan L. Hodge, J. A. Kaduk, Amy M. Gindhart, & Thomas N. Blanton
Powder X-ray diffraction of oseltamivir phosphate (Tamiflu®), C16H31N22O8P (pp. 216–218)
▸ DOI: 10.1017/S0885715620000330

International Report

Fan Zhang
TMS 2020 Annual Meeting & Exhibition Report (pp. 219–220)
▸ DOI: 10.1017/S088571562000038X

Calendars of Meetings, Short Courses and Workshops

Gang Wang
Calendar of Short Courses and Workshops (p. 221)
▸ DOI: 10.1017/S0885715620000433

Gang Wang
Calendar of Forthcoming Meetings (pp. 222–223)
▸ DOI: 10.1017/S0885715620000457

Powder Diffraction – Vol. 35 Number 4 – December 2020

PDJ 35-4 cover

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.

Editorials

Camden Hubbard
Editorial. (p. 225)
▸ DOI: 10.1017/S0885715620000676

Technical Article

Meenakshi Sundaram, Saravanan Natarajan, Amol G. Dikundwar, Hemant Bhutani
Quantification of solid-state impurity with powder X-ray diffraction using laboratory source (pp. 226–232)
▸ DOI: 10.1017/S0885715620000500

X. van Niekerk, E. E. Ferg, C. Gelant, D. G. Billing
An investigation into the temperature phase transitions of synthesized lithium titanate materials doped with Al, Co, Ni and Mg by in situ powder X-ray diffraction (pp. 233–246)
▸ DOI: 10.1017/S0885715620000494

Paul J. Schields, Nicholas Dunwoody, David Field, Zachary Wilson
In situ XRPD study of the ambient-pressure synthesis of nonstoichiometric Ag3O from Ag–Ag2O thin films: Phase abundance, unit-cell parameters, and c/a as a function of temperature and time (pp. 247–261)
▸ DOI: 10.1017/S0885715620000561

Nicola Döbelin
Validation of XRD phase quantification using semi-synthetic data (pp. 262–275)
▸ DOI: 10.1017/S0885715620000573

Shengru Wang, Xiaofang Lai, Bingsheng Du, Junhao Ma, Peihua Wang, Jikang Jian
Synthesis and optical properties of single-crystalline SnS1-xSex nanobelts (pp. 276–281)
▸ DOI: 10.1017/S0885715620000615

New Diffraction Data

Zhicheng Zha, Ting Tang, Xiaoyan Bian, Qing Wang
X-ray powder diffraction data for estra-4,9-diene-3,17-dione, C18H22O2 (pp. 282–285)
▸ DOI: 10.1017/S0885715620000512

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Crystal structure of hyoscyamine sulfate monohydrate, (C17H24NO3)2(SO4)(H2O) (pp. 286–292)
▸ DOI: 10.1017/S0885715620000603

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Crystal structure of cephalexin monohydrate, C16H17N3O4S(H2O) (pp. 293–300)
▸ DOI: 10.1017/S0885715620000627

Calendars of Meetings, Short Courses and Workshops

Gang Wang
Calendar of Short Courses and Workshops (p. 301)
▸ DOI: 10.1017/S0885715620000585

Gang Wang
Calendar of Forthcoming Meetings (pp. 302–303)
▸ DOI: 10.1017/S0885715620000597

International Report

Denise Zulli
69th Annual Denver X-ray conference report – a virtual event! (pp. 304–306)
▸ DOI: 10.1017/S0885715620000652

Powder Diffraction – Vol. 35 Number 4 – December Supplement 2020

PDJ Dec 2020 Supplement Cover

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.

Editorials

Ursula E. A. Fittschen, Gerald Falkenberg
The 25th International Congress on X-ray Optics and Microanalysis (ICXOM 25) (pp. S1–S2)
▸ DOI: 10.1017/S0885715620000640

Proceedings Paper

David N. Agyeman-Budu, Joel D. Brock, Arthur R. Woll
Efficient high-pass filtering with practical, high-yield X-ray transmission mirror optics (pp. S3–S7)
▸ DOI: 10.1017/S088571562000024X

Malte Storm, Florian Döring, Shashidhara Marathe, Christian David, Christoph Rau
The Diamond I13 full-field transmission X-ray microscope: a Zernike phase-contrast setup for material sciences (pp. S8–S14)
▸ DOI: 10.1017/S0885715620000238

M. E. Montero-Cabrera, I. J. A. Carreño-Márquez, I. Castillo-Sandoval, B. Pérez-Cázares, L. E. Fuentes-Cobas, H. E. Esparza-Ponce, E. Menéndez-Méndez, M. E. Fuentes-Montero, H. Castillo-Michel, D. Eichert, R. Loredo-Portales, J. Canche-Tello, M. Y. Luna-Porres, G. González-Sánchez, D. Burciaga-Valencia, C. Caraveo-Castro, G. Gómez-Méndez, L. Muñoz-Castellanos, I. Reyes-Cortes
Are the Naica giant crystals deteriorating because of human action? (pp. S15–S23)
▸ DOI: 10.1017/S0885715620000287

Lutz, C., and Fittschen, U. E. A. (2020)
Laboratory XANES to study vanadium species in vanadium redox flow batteries (pp. S24–S28)
▸ DOI: 10.1017/S0885715620000226

Dieter Ingerle, Werner Artner, Klaudia Hradil, Christina Streli
Refitting an X-ray diffraction system for combined GIXRF and XRR measurements (pp. S29–S33)
▸ DOI: 10.1017/S088571562000041X

Gerald Falkenberg, Frank Seiboth, Frieder Koch, Ken Vidar Falch, Andreas Schropp, Dennis Brückner, Jan Garrevoet
CRL optics and silicon drift detector for P06 Microprobe experiments at 35 keV (pp. S34–S37)
▸ DOI: 10.1017/S0885715620000536

Soraia Rodrigues de Azeredo, Roberto Cesareo, Angel Guillermo Bustamante Dominguez, Ricardo Tadeu Lopes
X-ray computed microtomography for the structural analysis of jewelry from the Museum “Royal Tombs of Sipán.” (pp. S38–S42)
▸ DOI: 10.1017/S0885715620000524