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Powder Diffraction Journal
Volume 36 – 2021

35th Anniversary logo

Powder Diffraction – Vol. 36 Number 1 – March 2021

PDJ VOL 36 NO 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.

Editorial

Camden Hubbard
Editorial (p. 1)
DOI: 10.1017/S0885715621000075

Technical Article

Analio J. Dugarte-Dugarte, Jacco van de Streek, Graciela Díaz de Delgado, Alicja Rafalska-Lasocha, José Miguel Delgado
Crystal structure from laboratory X-ray powder diffraction data, DFT-D calculations, Hirshfeld surface analysis, and energy frameworks of a new polymorph of 1-benzothiophene-2-carboxylic acid
(pp. 2 – 13)
DOI: 10.1017/S0885715620000755

P. Mikula, M. Vrána, J. Šaroun, V. Ryukhtin
Observation of multiple Bragg reflections accompanying forbidden Si(002) reflection in bent-perfect Si crystal (pp. 14 – 19)
DOI: 10.1017/S0885715620000779

New Diffraction Data

José H. Quintana Mendoza, Andrea P. Aparicio, J. A. Henao
Powder diffraction data and preliminary spectroscopic and thermal characterization of pinaverium bromide, a drug used for functional gastrointestinal disorders (pp. 20 – 24)
DOI: 10.1017/S088571562000072X

Ji Yang, Zhi Hua Liu, Rui Zhi Zhu, Neng Jun Xiang, Shi Yun Tang, Pei He, Zi Li Suo, Hui Li
X-ray powder diffraction data for nicotine 3,5-dihydroxybenzoate dihydrate, C10H15N2·C7H5O4·2H2O (pp. 25 – 28)
DOI: 10.1017/S0885715621000014

Mariana M. V. M. Souza, Alex Maza, Pablo V. Tuza
X-ray powder diffraction data of LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites (pp. 29 – 34)
DOI: 10.1017/S0885715620000767

Shivang Bhaskar, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Crystal structure of pimecrolimus Form B, C43H68ClNO11 (pp. 35 – 42)
DOI: 10.1017/S088571562100004X

Jerry Hong, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart,
Thomas N. Blanton

Crystal structure of (E)-doxepin hydrochloride, C19H22NOCl (pp. 43 – 49)
DOI: 10.1017/S0885715621000063

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Crystal structure of loteprednol etabonate Form II, C24H31ClO(pp. 50 – 55)
DOI: 10.1017/S0885715621000038

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Crystal structure of tezacaftor Form A, C26H27F3N2O(pp. 56 – 62)
DOI: 10.1017/S0885715621000051

Data Report

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Powder X-ray diffraction of azelastine hydrochloride, C22H25ClN3O·Cl (pp. 63 – 64)
DOI: 10.1017/S0885715620000664

Jingwen Fan, Zhicheng Zha, Qing Wang, Shoujun Zheng
X-ray powder diffraction data for norethisterone enanthate, C27H38O(pp. 65 – 67)
DOI: 10.1017/S0885715620000743

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Powder X-ray diffraction of escitalopram oxalate oxalic acid hydrate, (C20H21FN2O)2(C2O4)(H2C2O4)(H2O)0.16 (pp. 68 – 69)
DOI: 10.1017/S0885715621000026

Calendars of Meetings, Short Courses and Workshops

Gang Wang
Calendar of Forthcoming Meetings (p. 70)
DOI: 10.1017/S0885715620000780

Gang Wang
Calendar of Short Courses and Workshops (p. 71)
DOI: 10.1017/S0885715620000792

Erratum

“On the Cover” — Erratum (p. 72)
DOI: 10.1017/S0885715621000191

Powder Diffraction – Vol. 36 Number 2 – June 2021

PDJ Vol 36 No 2

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
Hope for recovery from the pandemic is appearing, (p. 73)
▸ DOI: 10.1017/S0885715621000312

PROCEEDINGS PAPERS

Ichikawa, S., Miyamoto, K., & Kurisaki, T.
Preliminary examination for revealing the provenance dependency of the lattice spacing of biotite for the provenance estimation of Atamadai-type pottery (2500–1500 BC) by XRD, (pp. 74-77)
▸ DOI: 10.1017/S0885715621000178

Brian K. Tanner, Patrick J. McNally and Andreas N. Danilewsky
X-ray imaging of silicon die within fully packaged semiconductor devices, (pp. 78-84)
▸ DOI: 10.1017/S088571562100021X

New Diffraction Data

Patel, N. V., Golab, J. T., Kaduk, J. A., Gindhart, A. M., & Blanton, T. N.
Crystal structure of tamsulosin hydrochloride, C20H29N2O5SCl, (pp. 85-91)
▸ DOI: 10.1017/S0885715621000129

Kaduk, J. A., Gindhart, A. M., & Blanton, T. N.
Crystal structure of tofacitinib dihydrogen citrate (Xeljanz®), (C16H21N6O)(H2C6H5O7), (pp. 92-99)
▸ DOI: 10.1017/S0885715621000105

Kaduk, J. A., Gindhart, A. M., & Blanton, T. N.
Crystal structure of eltrombopag olamine Form I, (C2H8NO)2 (C25H20N4O4), (pp. 100-106)
▸ DOI: 10.1017/S0885715621000099

Kaduk, J. A., Gindhart, A. M., & Blanton, T. N.
Crystal structure of edoxaban tosylate monohydrate Form I, (C24H31ClN7O4S)(C7H7O3S)(H2O), (pp. 107-113)
▸ DOI: 10.1017/S0885715621000117

Kaduk, J. A., Gindhart, A. M., & Blanton, T. N.
Crystal structure of pomalidomide Form I, C13H11N3O4, (pp. 114–119)
▸ DOI: 10.1017/S0885715621000087

Kaduk, J. A.
Crystal structure of strontium hydrogen citrate monohydrate, Sr(HC6H5O7)(H2O)), (pp. 120–128)
▸ DOI: 10.1017/S0885715621000166

Zhou, J., Chai, C., Hao, M., & Zhong, X.
Synthesis, crystal structure, and X-ray diffraction data of lithium m-phenylenediamine sulfate Li2(C6H10N2)(SO4)2, (pp. 129-133)
▸ DOI: 10.1017/S0885715621000221

Data Report

Dmitrienko, A. O., Konnov, A. A., & Klenov, M. S.
Crystal structure of 3,3′-(E)-diazene-1,2-diylbis{4-[(3,4-dinitro-1H-pyrazol-1-yl)-NNO-azoxy]-1,2,5-oxadiazole}, (pp. 134-139)
▸ DOI: 10.1017/S0885715621000208

Lin, X., Chen, D.-dan, Lin, X.-hui, Liu, A.-tao, Zong, B., & Zou, L.-jia
X-ray powder diffraction data for N,N-dimethyl-1H-benzo[d]imidazol-2-amine, C9H11N3, (pp. 140-142)
▸ DOI: 10.1017/S088571562100018X

INTERNATIONAL REPORT

S. Jennings and D. Zulli
2021 ICDD® Annual Spring Meetings – a virtual zoom event 8–12 March 2021, (pp. 143-144)
▸ DOI: 10.1017/S0885715621000324

Calendars of Meetings, Short Courses and Workshops

Gang Wang
Calendar of Forthcoming Meetings, (p. 145)
▸ DOI: 10.1017/S0885715621000257

Gang Wang
Calendar of Short Courses and Workshops, (p. 146)
▸ DOI: 10.1017/S0885715621000269

Powder Diffraction – Vol. 36 Number 3 – September 2021

PDJ Vol 36 No 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
Editorial (p. 147)

▸ DOI: 10.1017/S0885715621000452

Technical Article

Carina Schlesinger, Edith Alig, Martin U. Schmidt
Crystal Structure of the Anticancer Drug Carmustine Determined by X-ray Powder Diffraction (pp. 148–50)
▸ DOI: 10.1017/S0885715621000294

W. Wong-Ng, J. Guo, Y. Yan, J. A. Kaduk
Structural and Thermoelectric Properties of Pb4In2.6Bi3.4Se13 (pp. 151–58)
▸ DOI: 10.1017/S0885715621000385

Review Article

Hideo Toraya
Review of the Direct Derivation Method: Quantitative Phase Analysis with Observed Intensities and Chemical Composition Data (pp. 159–68)
▸ DOI: 10.1017/S0885715621000373

Proceedings Paper

Takashi Ida
Equatorial Aberration for Powder Diffraction Data Collected by Continuous-Scan Integration of a Silicon Strip X-ray Detector (pp. 169–75)
▸ DOI: 10.1017/S0885715621000403

New Diffraction Data

A. O. Dmitrienko, A. A. Konnov, M. S. Klenov
Crystal Structure of 3-[(3,4-Dinitro-1H-Pyrazol-1-Yl)-NNO-Azoxy]-4-Nitro-1,2,5-Oxadiazole (pp. 176–80)
▸ DOI: 10.1017/S0885715621000233

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Crystal Structure of Levocetirizine Dihydrochloride Form I, C21H27ClN2O3Cl2 (pp. 181–89)
▸ DOI: 10.1017/S0885715621000245

Joel W. Reid
Powder X-ray Diffraction Data for Dimethylarsinic Acid, (CH3)2AsO(OH) (pp. 190–195)
▸ DOI: 10.1017/S0885715621000270

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Crystal Structure of Palbociclib Isethionate Form B, (C24H30N7O2)(C2H5O4S) (pp. 196–201)
▸ DOI: 10.1017/S0885715621000361

Data Report

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Powder X-ray Diffraction of Varenicline Hydrogen Tartrate Form B (Chantix®), (C13H14N3)(HC4H4O6) (pp. 202–04)
▸ DOI: 10.1017/S088571562100035X

James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Powder X-ray Diffraction of Pazopanib Hydrochloride Form 1, C21H24N7O2SCl (pp. 205–07)
▸ DOI: 10.1017/S0885715621000282

Ryan L. Hodge, James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Powder X-ray Diffraction of Daclatasvir Dihydrochloride Form N-2 (Daklinza®), C40H52N8O6Cl2 (pp. 208–11)
▸ DOI: 10.1017/S0885715621000397

Crystallography Education Note

Stephanie Jennings
ICDD® InSession: Mastering the PDF® Database and JADE® Software (p. 212)
▸ DOI: 10.1017/S0885715621000464

Calendars of Meetings, Short Courses and Workshops

Gang Wang
Calendar of Forthcoming Meetings (p. 213)
▸ DOI: 10.1017/S0885715621000440

Gang Wang
Calendar of Short Courses and Workshops (p. 214)
▸ DOI: 10.1017/S0885715621000439

Addendum

Yali Su, Dayong Lu, Shan Wang
Characterization and Rietveld Refinements of New Dense Ceramics Ba3−xSrxTb3−xCexO9 (x = 1 and 1.5) Perovskites – ADDENDUM (p. 215)
▸ DOI: 10.1017/S0885715620000470

G. Murugesan, R. Nithya, S. Kalainathan
Rietveld Refinement of Sm0.55Sr0.45Mn0.4Fe0.6O3 – ADDENDUM (p. 216)
▸ DOI: 10.1017/S0885715620000482

Corrigendum

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) – CORRIGENDUM (p. 217)
▸ DOI: 10.1017/S0885715621000130

Erratum

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 — ERRATUM (p. 218)
▸ DOI: 10.1017/S0885715620000731

Analio J. Dugarte-Dugarte, Jacco van de Streek, Graciela Díaz de Delgado, Alicja Rafalska-Lasocha, José Miguel Delgado
Crystal Structure from Laboratory X-ray Powder Diffraction Data, DFT-D Calculations, Hirshfeld Surface Analysis, and Energy Frameworks of a New Polymorph of 1-Benzothiophene-2-Carboxylic Acid — ERRATUM (p. 219)
▸ DOI: 10.1017/S0885715621000300