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Powder Diffraction Journal
Volume 34 – 2019

Powder Diffraction – Vol. 34 Number 1 – March 2019

Powder Diffraction Journal March 2019 coverart

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
Metal Organic Framework papers are a select set of papers in this issue (p. 1)
DOI: 10.1017/S0885715619000022

Craig Brown and Winnie Wong-Ng
Special section: crystallography and properties of metal organic framework (MOF) compounds (p. 2)
DOI: 10.1017/S0885715619000034

REVIEW ARTICLE

John B. Parise, Xianyin Chen, Anna M. Plonka, William R. Woerner, Debasis Banerjee, David Connors, and Nancy Goroff
XRD-DSC: a screening tool for identifying effective MOFs for selective gas sorption from humid gas streams (pp. 3–12)
DOI: 10.1017/S088571561900006X

TECHNICAL ARTICLES

Matthew Lawson, Jarod Horn, Winnie Wong-Ng, Laura Espinal, Saul H. Lapidus, Huong Giang Nguyen, Yongtao Meng, Steven L. Suib, James A. Kaduk, and Lan Li
First-principles study of carbon capture and storage properties of porous MnO2 octahedral molecular sieve OMS-5 (pp. 13–20)
DOI: 10.1017/S0885715619000010

B. H. O’Connor, R. M. Clarke, and J. A. Kimpton
Synchrotron radiation diffraction study of the mineral moolooite, and synthetic copper oxalates
(pp. 21–34)
DOI: 10.1017/S0885715619000101

Austin M. Wheatley and James A. Kaduk
Crystal structures of ammonium citrates (pp. 35–43)
DOI: 10.1017/S0885715618000829

Joel W. Reid, James A. Kaduk, and Lidia Matei
The crystal structure of MoO2(O2)(H2O)·H2O (pp. 44–49)
DOI: 10.1017/S0885715619000095

NEW DIFFRACTION DATA

James A. Kaduk, Nicholas C. Boaz, Amy M. Gindhart, and Thomas N. Blanton
Crystal structure of oxybutynin hydrochloride hemihydrate C22H32NO3Cl(H2O)0.5 (pp. 50–58)
DOI: 10.1017/S0885715618000842

Austin M. Wheatley, James A. Kaduk, Amy M. Gindhart, and Thomas N. Blanton
Crystal structure of minocycline hydrochloride dihydrate form A
C23H28N3O7Cl (H2O)2 (pp. 59–65)
DOI: 10.1017/S0885715618000787

Jordan A. Krueger, James A. Kaduk, Amy M. Gindhart, and Thomas N. Blanton
Crystal structure of hydroxyzine dihydrochloride C21H29ClN2O2Cl(pp. 66–73)
DOI: 10.1017/S0885715618000799

RAPID COMMUNICATION

James A. Kaduk, K. Zhong, Thomas N. Blanton, Stacy Gates-Rector, and Timothy G. Fawcett
Powder X-ray diffraction of bendamustine hydrochloride monohydrate C16H22Cl2N3O2Cl·H2O,
(pp. 74–75)
DOI: 10.1017/S0885715618000830

INTERNATIONAL REPORT

Denise Zulli
67th Annual Denver X-ray Conference Report (pp. 76–78)
DOI: 10.1017/S0885715618000775

Cindy Bolme, Gilliss Dyer, and Siegfried Glenzer
Sixth user workshop on high-power lasers at the linac coherent light source (pp. 79–84)
DOI: 10.1017/S0885715618000854

CALENDARS

Gang Wang
Calendar of short courses and workshops (pp. 85–86)
DOI: 10.1017/S0885715619000058

Gang Wang
Calendar of forthcoming meetings (pp. 87–88)
DOI: 10.1017/S0885715619000046

Powder Diffraction – Vol. 34 Number 2 – June 2019

Powder Diffraction Journal June 2019 Coverart

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
“Select papers from the Denver X-ray Conference, additions to the Metal Organic Framework special collection, and exceptional Technical, Educational and Review papers are included in this Issue of PDJ” (pp. 89–89)
DOI: 10.1017/S0885715619000368

Technical Articles

K.-A. M. Stirrup, M. A. Rodriguez, E. N. Coker, J. J. M. Griego, and T.M. Anderson
“Monitoring of FeS2 reactions using high-temperature XRD coupled with gas chromatography” (pp. 90)
DOI: 10.1017/S0885715619000320

M. A. Rodriguez, T. T. Amon, J. J. M. Griego, H. Brown-Shaklee, and N. Green
“3D immersive visualization of micro-computed tomography and XRD texture datasets” (pp. 97)
DOI: 10.1017/S0885715619000319

A. C. Vermeulen, C. M. Kube, and N. Norberg
“Implementation of the self-consistent Kröner–Eshelby model for the calculation of X-ray elastic constants for any crystal symmetry” (pp. 103)
DOI: 10.1017/S088571561900037X

F. F. Contreras-Torres
“IndexCub: a ready-to-use set of routines for X-ray diffraction line profile analysis” (pp. 1–9)
DOI: 10.1017/S0885715619000332

O. Barreda, G. R. Lorzing, and E. D. Bloch
“Mechanochemical synthesis of two-dimensional metal-organic frameworks”(pp. 119)
DOI: 10.1017/S0885715619000228

D. Sornadurai, R. M. Sarguna, and V. Sridharan
“Variation of structural parameters in dimethylammonium manganese formate [(CH3)2NH2]Mn(HCOO)3 by substitution of transition metals (M = Zn, Co and Ni): by powder XRD method”  (pp. 124)
DOI: 10.1017/S0885715619000307

T. G. Fawcett, S. Gates-Rector, A. M. Gindhart, M. Rost, S. N. Kabekkodu, J. R. Blanton, T. N. and Blanton
“Formulation analyses of high-volume prescription drugs” (pp. 130)
DOI: 10.1017/S0885715619000253

J. Schreiner, F. Goetz-Neunhoeffer, J. Neubauer, S. Volkmann, S. Bergold, R. Webler, and D. Jansen
“Advanced Rietveld refinement and SEM analysis of tobermorite in chemically diverse autoclaved aerated concrete” (pp. 143)
DOI: 10.1017/S0885715619000149

S. Ghosh, S. Pramanik, and A. K. Mukherjee
“Structure analysis of a phenylpyrazole carboxylic acid derivative crystallizing with three molecules in the asymmetric unit (Z′ = 3) using X-ray powder diffraction” (pp. 151)
DOI: 10.1017/S0885715619000289

S. Ichikawa, Y. Sakito, and T. Kurisaki
“Mineral analysis of river sand around Mt. Tsukuba for provenance estimation of Atamadai type pottery (2500–1500 BC) from Hinoki site (Tochigi, Japan)” (pp. 159)
DOI: 10.1017/S0885715619000290

Review Article

T. G. Fawcett, S. Gates-Rector, A. M. Gindhart, M. Rost, S. N. Kabekkodu, J. R. Blanton, and T. N. Blanton
“A practical guide to pharmaceutical analyses using X-ray powder diffraction” (pp. 164)
DOI: 10.1017/S088571561900023X

Crystallography Education

K. M. Ginell, C. Horn, R. B. Von Dreele, and B. H. Toby (2019)
“Materials for learning use of GSAS-II” (pp. 184–188)
DOI: 10.1017/S0885715619000241

New Diffraction Data

S. C. Diulus, J. A. Kaduk, A. M. Gindhart, and T. N. Blanton
“Crystal structure of bumetanide, C17H20N2O5S” (pp. 189)
DOI: 10.1017/S0885715619000125

Ping-Zhan Si, Jung Tae Lim, Jihoon Park, and Chul-Jin Choi
“X-ray powder diffraction data for Mn4C” (pp. 196)
DOI: 10.1017/S0885715619000265

International Report

S. Jennings (2019)
“2019 ICDD Spring Meeting 11–15 March – ICDD® Headquarters” (pp. 198–202)
DOI: 10.1017/S0885715619000393

C. E. M. Campos, K. F. Ulbrich, M. Leoni, N. Masciocchi, F. Bertolotti, and A. Guagliardi (2019)
“Report on the To.Sca.Lat.-1.0 Summer School, total scattering analysis for nanoscience in Latin America” (pp. 203–207)
DOI: 10.1017/S0885715619000113

W. Wong-Ng (2019)
“The 2018 Materials Science &Technology Conference & Exhibition (MS&T18)” (pp. 208–210)
DOI: 10.1017/S0885715619000381

Calendars of Meetings, Short Courses and Workshops

G. Wang (2019)
“Calendar of Forthcoming Meetings” (pp. 211–212)
DOI: 10.1017/S0885715619000344

G. Wang (2019)
“Calendar of Short Courses and Workshops” (pp. 213–214)
DOI: 10.1017/S0885715619000356

Powder Diffraction – Vol. 34 Number 3 – September 2019

Powder Diffraction Journal Sept 2019 Coverart

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
Exceptional technical, educational, and diffraction data articles are included in this issue of PDJ
(p. 215)
DOI: 10.1017/S0885715619000599

Technical Articles

W. Wong-Ng, H. G. Nguyen, L. Espinal, D. W. Siderius and J. A. Kaduk
Powder X-ray structural studies and reference diffraction patterns for three forms of porous aluminum terephthalate, MIL-53(A1) (pp. 216-226)
DOI: 10.1017/S0885715619000460

E. Cockayne
Density functional theory meta GGA study of water adsorption in MIL-53(Cr) (pp. 227-232) (pp. 97)
DOI: 10.1017/S0885715619000587

Justin R. Blanton, Robert J. Papoular and Daniel Louër
PreDICT: A graphical user interface to the DICVOL14 indexing software program for powder diffraction data. (pp. 233-241)
DOI: 10.1017/S0885715619000514

J. Anike, R. Derbeshi, W. Wong-Ng, W. Liu, D. Windover, N. King, S. Wang, J. A. Kaduk and Y. Lan
Structural and optical properties of Ba(Co1−xZnx)SiO4 (x = 0.2, 0.4, 0.6, 0.8) (pp. 242-250)
DOI: 10.1017/S0885715619000447

P. Stacey
A study to assess the performance of an “X-ray powder diffraction with Rietveld” approach for measuring the crystalline and amorphous components of inhalable dust collected on aerosol sampling filters (pp. 251-259)
DOI: 10.1017/S0885715619000423

Crystallography Education Article

Mohammad Bagher Fathi
History of the reciprocal lattice. (pp. 260-266)
DOI: 10.1017/S0885715619000496

New Diffraction Data

Austin M. Wheatley, James A. Kaduk, Amy M. Gindhart and Thomas N. Blanton
Crystal structures of cefdinir, C14H13N5O5S2, and cefdinir sesquihydrate C14H13N5O5S2(H2O)1.5
(pp. 267-278)
DOI: 10.1017/S0885715619000459

Data Reports

Q. Wang, X. Bian and X. Chen
X-ray powder diffraction data for 17-hydroxy-16-methyl-9,11-epoxypregna-1,4,6-triene-3,20-dione, C22H26O4 (pp. 279-281)
DOI: 10.1017/S088571561900054X

James A. Kaduk, Amy M. Gindhart and Thomas N. Blanton
Powder X-ray diffraction of capecitabine, C15H22FN3O6 (pp. 282-283)
DOI: 10.1017/S0885715619000575

International Report

Federica Bertolotti, Fabio Ferri, Norberto Masciocchi and Antonietta Guagliardi
Report on the To.Sca.Lake 3.0 summer school, total scattering analysis for nanoscience on the Como Lake (pp. 284-288)
DOI: 10.1017/S0885715619000551

Calendars of Meetings, Short Courses and Workshops

Gang Wang
Calendar of Forthcoming Meetings (pp. 289-290)
DOI: 10.1017/S0885715619000526

Gang Wang
Calendar of Short Courses and Workshops (p. 291)
DOI: 10.1017/S0885715619000538

Corrigendum

“On the Cover” – CORRIGENDUM (p. 292)
DOI: 10.1017/S088571561900040X

James A. Kaduk, Amy M. Gindhart and Thomas N. Blanton
Powder X-ray diffraction of capecitabine, C15H22FN3O6 — CORRIGENDUM (p. 293)
DOI: 10.1017/S0885715619000642

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