Subjects -> METALLURGY (Total: 59 journals)
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Acta Metallurgica Slovaca     Open Access   (Followers: 2)
Advanced Device Materials     Open Access   (Followers: 6)
American Journal of Fluid Dynamics     Open Access   (Followers: 44)
Archives of Metallurgy and Materials     Open Access   (Followers: 9)
Asian Journal of Materials Science     Open Access   (Followers: 4)
Canadian Metallurgical Quarterly     Hybrid Journal   (Followers: 21)
Complex Metals     Open Access   (Followers: 2)
Energy Materials : Materials Science and Engineering for Energy Systems     Hybrid Journal   (Followers: 24)
Graphene and 2D Materials     Open Access   (Followers: 6)
Handbook of Ferromagnetic Materials     Full-text available via subscription   (Followers: 1)
Handbook of Magnetic Materials     Full-text available via subscription   (Followers: 2)
High Temperature Materials and Processes     Open Access   (Followers: 6)
Indian Journal of Engineering and Materials Sciences (IJEMS)     Open Access   (Followers: 11)
International Journal of Metallurgy and Alloys     Full-text available via subscription   (Followers: 2)
International Journal of Metals     Open Access   (Followers: 7)
International Journal of Minerals, Metallurgy, and Materials     Hybrid Journal   (Followers: 12)
International Journal of Mining and Geo-Engineering     Open Access   (Followers: 4)
Ironmaking & Steelmaking     Hybrid Journal   (Followers: 5)
ISIJ International - Iron and Steel Institute of Japan     Full-text available via subscription   (Followers: 26)
Izvestiya Vuzov. Poroshkovaya Metallurgiya i Funktsional’nye Pokrytiya (Proceedings of Higher Schools. Powder Metallurgy аnd Functional Coatings)     Full-text available via subscription   (Followers: 2)
JOM Journal of the Minerals, Metals and Materials Society     Hybrid Journal   (Followers: 35)
Journal of Advanced Joining Processes     Open Access  
Journal of Central South University     Hybrid Journal   (Followers: 1)
Journal of Cluster Science     Hybrid Journal  
Journal of Heavy Metal Toxicity and Diseases     Open Access  
Journal of Iron and Steel Research International     Hybrid Journal   (Followers: 11)
Journal of Materials & Metallurgical Engineering     Full-text available via subscription   (Followers: 2)
Journal of Materials Processing Technology     Hybrid Journal   (Followers: 21)
Journal of Metallurgical Engineering     Open Access   (Followers: 4)
Journal of Sustainable Metallurgy     Hybrid Journal   (Followers: 3)
Materials Science and Metallurgy Engineering     Open Access   (Followers: 7)
Metal Finishing     Full-text available via subscription   (Followers: 20)
Metallurgical and Materials Engineering     Open Access   (Followers: 7)
Metallurgical and Materials Transactions A     Hybrid Journal   (Followers: 42)
Metallurgical and Materials Transactions B     Hybrid Journal   (Followers: 32)
Metallurgical and Materials Transactions E     Full-text available via subscription   (Followers: 2)
Metallurgical Research & Technology     Full-text available via subscription  
Metallurgical Research and Technology     Full-text available via subscription   (Followers: 8)
Metallurgy and Foundry Engineering     Open Access   (Followers: 3)
Mining, Metallurgy & Exploration     Hybrid Journal  
Powder Diffraction     Full-text available via subscription   (Followers: 1)
Powder Metallurgy     Hybrid Journal   (Followers: 35)
Powder Metallurgy and Metal Ceramics     Hybrid Journal   (Followers: 7)
Powder Metallurgy Progress     Open Access   (Followers: 5)
Practical Metallography     Full-text available via subscription   (Followers: 6)
Rare Metals     Hybrid Journal   (Followers: 3)
Revista de Metalurgia     Open Access  
Revista del Instituto de Investigación de la Facultad de Ingeniería Geológica, Minera, Metalurgica y Geográfica     Open Access  
Revista Remetallica     Open Access   (Followers: 1)
Russian Metallurgy (Metally)     Full-text available via subscription   (Followers: 4)
Science and Technology of Welding and Joining     Hybrid Journal   (Followers: 8)
Soldering & Surface Mount Technology     Hybrid Journal   (Followers: 2)
Steel Times lnternational     Partially Free   (Followers: 19)
Transactions of the IMF     Hybrid Journal   (Followers: 14)
Transactions of the Indian Institute of Metals     Hybrid Journal   (Followers: 5)
Tungsten     Hybrid Journal  
Universal Journal of Materials Science     Open Access   (Followers: 3)
Welding in the World     Hybrid Journal   (Followers: 8)
Welding International     Hybrid Journal   (Followers: 11)
Вісник Приазовського Державного Технічного Університету. Серія: Технічні науки     Open Access  
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Powder Diffraction
Journal Prestige (SJR): 0.319
Citation Impact (citeScore): 1
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ISSN (Print) 0885-7156 - ISSN (Online) 1945-7413
Published by Cambridge University Press Homepage  [395 journals]
  • PDJ volume 36 issue 1 Cover and Front matter
    • PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715621000142
      Issue No: Vol. 36, No. 1 (2021)
       
  • PDJ volume 36 issue 1 Cover and Back matter
    • PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715621000154
      Issue No: Vol. 36, No. 1 (2021)
       
  • Editorial
    • Authors: Camden Hubbard
      Pages: 1 - 1
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715621000075
      Issue No: Vol. 36, No. 1 (2021)
       
  • 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
    • Authors: Analio J. Dugarte-Dugarte; Jacco van de Streek, Graciela Díaz de Delgado, Alicja Rafalska-Lasocha, José Miguel Delgado
      Pages: 2 - 13
      Abstract: Several benzothiophene-based compounds, including 1-benzothiophene-2-carboxylic acid, exhibit a wide variety of pharmacological activities. They have been extensively used to treat various types of diseases with high therapeutic effectiveness. In this contribution, the crystal structure of a new polymorph of 1-benzothiophene-2-carboxylic acid (BTCA) was determined from laboratory X-ray powder diffraction data with DASH, refined by the Rietveld method with TOPAS-Academic, and optimized using DFT-D calculations. The new form of 1-benzothiophene-2-carboxylic acid crystallizes in space group C2/c (No. 15) with a = 14.635(4), b = 5.8543(9), c = 19.347(3) Å, β = 103.95(1)°, V = 1608.8(6) Å3, and Z = 8. The structure is a complex 3D arrangement which can be described in terms of hydrogen-bonded dimers of BTCA molecules, joined by the acid–acid homosynthon, which interact through C–H⋯O hydrogen bonds to produce tapes further connected through head-to-tail π⋯π and edge-to-face C–H⋯π interactions. A comparison with a previously reported triclinic polymorph and with the related 1-benzofuran-2-carboxylic acid (BFCA) is also presented.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715620000755
      Issue No: Vol. 36, No. 1 (2021)
       
  • Observation of multiple Bragg reflections accompanying forbidden Si(002)
           reflection in bent-perfect Si crystal
    • Authors: P. Mikula; M. Vrána, J. Šaroun, V. Ryukhtin
      Pages: 14 - 19
      Abstract: Strong multiple Bragg reflections (MBRs) which can be realized in a bent-perfect-crystal (BPC) slab provide a monochromatic beam of excellent resolution parameters. For identifying MBR effects in the BPC Si crystal, we used the method of azimuthal rotation of the crystal lattice around the scattering vector of the primary forbidden Si(200) reflection for a fixed chosen wavelength. In this paper, several azimuthal scans searching strong MBR effects with the intention of a possible practical exploitation for very high-resolution diffractometry are presented.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715620000779
      Issue No: Vol. 36, No. 1 (2021)
       
  • Powder diffraction data and preliminary spectroscopic and thermal
           characterization of pinaverium bromide, a drug used for functional
           gastrointestinal disorders
    • Authors: José H. Quintana Mendoza; Andrea P. Aparicio, J. A. Henao
      Pages: 20 - 24
      Abstract: Pinaverium bromide (C26H41Br2NO4) is an active pharmaceutical ingredient (API) usually prescribed for the relief of spasm and functional gastrointestinal disorders. This work reports its powder diffraction data, Raman and FT-IR spectroscopy and thermal characterization. Indexing of the powder diffraction pattern showed this material crystallizes in a monoclinic unit cell with a = 16.00(4) Å, b = 8.901(2) Å, c = 19.225(4) Å, β = 98.68(3)°, and V = 2808.2(6) Å3.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S088571562000072X
      Issue No: Vol. 36, No. 1 (2021)
       
  • 10H15N2⋅C7H5O4⋅2H2O&rft.title=Powder+Diffraction&rft.issn=0885-7156&rft.date=2021&rft.volume=36&rft.spage=25&rft.epage=28&rft.aulast=Yang&rft.aufirst=Ji&rft.au=Ji+Yang&rft.au=Zhi+Hua+Liu,+Rui+Zhi+Zhu,+Neng+Jun+Xiang,+Shi+Yun+Tang,+Pei+He,+Zi+Li+Suo,+Hui+Li&rft_id=info:doi/10.1017/S0885715621000014">X-ray powder diffraction data for nicotine 3,5-dihydroxybenzoate
           dihydrate, C10H15N2⋅C7H5O4⋅2H2O
    • Authors: Ji Yang; Zhi Hua Liu, Rui Zhi Zhu, Neng Jun Xiang, Shi Yun Tang, Pei He, Zi Li Suo, Hui Li
      Pages: 25 - 28
      Abstract: Nicotine 3,5-dihydroxybenzoate dihydrate is a nicotine salt and can be used as compositions in tobacco products. X-ray powder diffraction data, unit-cell parameters, and space group for nicotine 3,5-dihydroxybenzoate, C10H15N2⋅C7H5O4⋅2H2O, are reported [a = 8.424(1) Å, b = 13.179(8) Å, c = 8.591(1) Å, α = 90°, β = 102.073(8)°, γ = 90°, unit-cell volume V = 932.765(3) Å3, Z = 2, ρcal = 1.256 g⋅cm−3, and space group P21] at room temperature. All measured lines were indexed and are consistent with the P21 space group.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715621000014
      Issue No: Vol. 36, No. 1 (2021)
       
  • 0.5Ti0.45Co0.05O3,+LaNi0.45Co0.05Ti0.5O3,+and+LaNi0.5Ti0.5O3+perovskites&rft.title=Powder+Diffraction&rft.issn=0885-7156&rft.date=2021&rft.volume=36&rft.spage=29&rft.epage=34&rft.aulast=Souza&rft.aufirst=Mariana&rft.au=Mariana+M.+V.+M.+Souza&rft.au=Alex+Maza,+Pablo+V.+Tuza&rft_id=info:doi/10.1017/S0885715620000767">X-ray powder diffraction data of LaNi0.5Ti0.45Co0.05O3,
           LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites
    • Authors: Mariana M. V. M. Souza; Alex Maza, Pablo V. Tuza
      Pages: 29 - 34
      Abstract: In the present work, LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites were synthesized by the modified Pechini method. These materials were characterized using X-ray fluorescence, scanning electron microscopy, and powder X-ray diffraction coupled to the Rietveld method. The crystal structure of these materials is orthorhombic, with space group Pbnm (No 62). The unit-cell parameters are a = 5.535(5) Å, b = 5.527(3) Å, c = 7.819(7) Å, V = 239.2(3) Å3, for the LaNi0.5Ti0.45Co0.05O3, a = 5.538(6) Å, b = 5.528(4) Å, c = 7.825(10) Å, V = 239.5(4) Å3, for the LaNi0.45Co0.05Ti0.5O3, and a = 5.540(2) Å, b = 5.5334(15) Å, c = 7.834(3) Å, V = 240.2(1) Å3, for the LaNi0.5Ti0.5O3.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715620000767
      Issue No: Vol. 36, No. 1 (2021)
       
  • 43H68ClNO11&rft.title=Powder+Diffraction&rft.issn=0885-7156&rft.date=2021&rft.volume=36&rft.spage=35&rft.epage=42&rft.aulast=Bhaskar&rft.aufirst=Shivang&rft.au=Shivang+Bhaskar&rft.au=Joseph+T.+Golab,+James+A.+Kaduk,+Amy+M.+Gindhart,+Thomas+N.+Blanton&rft_id=info:doi/10.1017/S088571562100004X">Crystal structure of pimecrolimus Form B, C43H68ClNO11
    • Authors: Shivang Bhaskar; Joseph T. Golab, James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
      Pages: 35 - 42
      Abstract: The crystal structure of pimecrolimus Form B has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Pimecrolimus crystallizes in the space group P21 (#4) with a = 15.28864(7), b = 13.31111(4), c = 10.95529(5) Å, β = 96.1542(3)°, V = 2216.649(9) Å3, and Z = 2. Although there are an intramolecular six-ring hydrogen bond and some larger chain and ring patterns, the crystal structure is dominated by van der Waals interactions. There is a significant difference between the conformation of the Rietveld-refined and the DFT-optimized structures in one portion of the macrocyclic ring. Although weak, intermolecular interactions are apparently important in determining the solid-state conformation. The powder pattern is included in the Powder Diffraction File™ (PDF®) as entry 00-066-1619. This study provides the atomic coordinates to be added to the PDF entry.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S088571562100004X
      Issue No: Vol. 36, No. 1 (2021)
       
  • E)-doxepin+hydrochloride,+C19H22NOCl&rft.title=Powder+Diffraction&rft.issn=0885-7156&rft.date=2021&rft.volume=36&rft.spage=43&rft.epage=49&rft.aulast=Hong&rft.aufirst=Jerry&rft.au=Jerry+Hong&rft.au=Joseph+T.+Golab,+James+A.+Kaduk,+Amy+M.+Gindhart,+Thomas+N.+Blanton&rft_id=info:doi/10.1017/S0885715621000063">Crystal structure of (E)-doxepin hydrochloride, C19H22NOCl
    • Authors: Jerry Hong; Joseph T. Golab, James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
      Pages: 43 - 49
      Abstract: The crystal structure of (E)-doxepin hydrochloride has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. (E)-doxepin hydrochloride crystallizes in space group P21/a (#14) with a = 13.78488(7), b = 8.96141(7), c = 14.30886(9) Å, β = 96.5409(5)°, V = 1756.097(12) Å3, and Z = 4. There is a strong discrete hydrogen bond between the protonated nitrogen atom and the chloride anion. There are six C–H⋯Cl hydrogen bonds between the methyl groups and the chloride, as well as additional hydrogen bonds from methylene groups and the vinyl proton. The hydrogen bonds are important in determining the solid-state conformation of the cation. The compound is essentially isostructural to amitriptyline hydrochloride. The powder pattern is included in the Powder Diffraction File™ as entry 00-066-1613.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715621000063
      Issue No: Vol. 36, No. 1 (2021)
       
  • 24H31ClO7&rft.title=Powder+Diffraction&rft.issn=0885-7156&rft.date=2021&rft.volume=36&rft.spage=50&rft.epage=55&rft.aulast=Kaduk&rft.aufirst=James&rft.au=James+A.+Kaduk&rft.au=Amy+M.+Gindhart,+Thomas+N.+Blanton&rft_id=info:doi/10.1017/S0885715621000038">Crystal structure of loteprednol etabonate Form II, C24H31ClO7
    • Authors: James A. Kaduk; Amy M. Gindhart, Thomas N. Blanton
      Pages: 50 - 55
      Abstract: The crystal structure of loteprednol etabonate Form II has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Loteprednol etabonate Form II crystallizes in the space group P21 (#4) with a = 11.96312(6), b = 14.91862(5), c = 6.75715(3) Å, β = 94.1584(3)°, V = 1202.796(6) Å3, and Z = 2. The crystal structure is characterized by herringbone layers in the ab-plane. The anisotropic displacement ellipsoid of the Cl atom is not oriented in a way which corresponds to a chemically sensible motion of this atom. The sample suffered damage in the X-ray beam, probably involving photolysis of the C–Cl bond. The most prominent hydrogen bond is the O–H⋯O hydrogen bond between the hydroxyl group and the carbonyl group of the steroid A ring. This hydrogen bond links the molecules into C1,1(9) chains along the b-axis. The powder pattern is included in the Powder Diffraction File™ (PDF®) as entry 00-066-1602; this study will allow inclusion of the atomic coordinates to the PDF entry.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715621000038
      Issue No: Vol. 36, No. 1 (2021)
       
  • 26H27F3N2O6&rft.title=Powder+Diffraction&rft.issn=0885-7156&rft.date=2021&rft.volume=36&rft.spage=56&rft.epage=62&rft.aulast=Kaduk&rft.aufirst=James&rft.au=James+A.+Kaduk&rft.au=Amy+M.+Gindhart,+Thomas+N.+Blanton&rft_id=info:doi/10.1017/S0885715621000051">Crystal structure of tezacaftor Form A, C26H27F3N2O6
    • Authors: James A. Kaduk; Amy M. Gindhart, Thomas N. Blanton
      Pages: 56 - 62
      Abstract: The crystal structure of tezacaftor Form A has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Tezacaftor Form A crystallizes in space group C2 (#5) with a = 21.05142(6), b = 6.60851(2), c = 17.76032(5) Å, β = 95.8255(2)°, V = 2458.027(7) Å3, and Z = 4. The crystal structure is dominated by van der Waals interactions. O–H⋯O hydrogen bonds link the molecules in chains along the b-axis, and there are a variety of C–H⋯O hydrogen bonds, both intra- and intermolecular. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715621000051
      Issue No: Vol. 36, No. 1 (2021)
       
  • 22H25ClN3O·Cl&rft.title=Powder+Diffraction&rft.issn=0885-7156&rft.date=2021&rft.volume=36&rft.spage=63&rft.epage=64&rft.aulast=Kaduk&rft.aufirst=James&rft.au=James+A.+Kaduk&rft.au=Amy+M.+Gindhart,+Thomas+N.+Blanton&rft_id=info:doi/10.1017/S0885715620000664">Powder X-ray diffraction of azelastine hydrochloride, C22H25ClN3O·Cl
    • Authors: James A. Kaduk; Amy M. Gindhart, Thomas N. Blanton
      Pages: 63 - 64
      Abstract: Commercial azelastine hydrochloride crystallizes in the monoclinic space group P21/n (#14) with a = 13.7844(5), b = 16.39920(14), c = 9.41231(22) Å, β = 97.5340(20)°, V = 2109.32(4) Å3, and Z = 4. The lattice parameters differ by −0.02, +0.04, and +0.04% from those in the previous determination (reflecting differences in the temperature and the sample source), and are more precise, from the use of synchrotron radiation. The experimental powder pattern is included in the Powder Diffraction File™ (PDF®) as entry 00-070-1219.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715620000664
      Issue No: Vol. 36, No. 1 (2021)
       
  • 27H38O3&rft.title=Powder+Diffraction&rft.issn=0885-7156&rft.date=2021&rft.volume=36&rft.spage=65&rft.epage=67&rft.aulast=Fan&rft.aufirst=Jingwen&rft.au=Jingwen+Fan&rft.au=Zhicheng+Zha,+Qing+Wang,+Shoujun+Zheng&rft_id=info:doi/10.1017/S0885715620000743">X-ray powder diffraction data for norethisterone enanthate, C27H38O3
    • Authors: Jingwen Fan; Zhicheng Zha, Qing Wang, Shoujun Zheng
      Pages: 65 - 67
      Abstract: X-ray powder diffraction data, unit-cell parameters, and space group for norethisterone enanthate, C27H38O3, are reported [a = 6.191(4) Å, b = 12.711(3) Å, c = 31.396(2) Å, α = 90°, β = 90°, γ = 90°, unit-cell volume V = 2471.16 Å3, Z = 4, ρcal = 1.104 g cm−3, and space group P212121]. All measured lines were indexed and are consistent with the P212121 space group. No detectable impurities were observed.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715620000743
      Issue No: Vol. 36, No. 1 (2021)
       
  • 20H21FN2O)2(C2O4)(H2C2O4)(H2O)0.16&rft.title=Powder+Diffraction&rft.issn=0885-7156&rft.date=2021&rft.volume=36&rft.spage=68&rft.epage=69&rft.aulast=Kaduk&rft.aufirst=James&rft.au=James+A.+Kaduk&rft.au=Amy+M.+Gindhart,+Thomas+N.+Blanton&rft_id=info:doi/10.1017/S0885715621000026">Powder X-ray diffraction of escitalopram oxalate oxalic acid hydrate,
           (C20H21FN2O)2(C2O4)(H2C2O4)(H2O)0.16
    • Authors: James A. Kaduk; Amy M. Gindhart, Thomas N. Blanton
      Pages: 68 - 69
      Abstract: Commercial escitalopram oxalate crystallizes as a hydrated adduct with oxalic acid, in the space group P21 with a = 8.029897(21), b = 25.09397(6), c = 11.138930(31) Å, β = 106.7759(2)°, V = 2148.992(7) Å3, and Z = 4. The agreement of the Rietveld and previous single-crystal structures is excellent; the root-mean-square Cartesian displacements of the non-H atoms of the two independent cations are 0.076 and 0.067 Å, respectively. The water molecule refined to a slightly different position and occupancy. The pattern is included in the Powder Diffraction File™ (PDF®) as entry 00-064-1507.
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715621000026
      Issue No: Vol. 36, No. 1 (2021)
       
  • Calendar of Forthcoming Meetings
    • Authors: Gang Wang
      Pages: 70 - 70
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715620000780
      Issue No: Vol. 36, No. 1 (2021)
       
  • Calendar of Short Courses and Workshops
    • Authors: Gang Wang
      Pages: 71 - 71
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715620000792
      Issue No: Vol. 36, No. 1 (2021)
       
  • “On the Cover” — Erratum
    • Pages: 72 - 72
      PubDate: 2021-03-01T00:00:00.000Z
      DOI: 10.1017/S0885715621000191
      Issue No: Vol. 36, No. 1 (2021)
       
 
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