Forthcoming article in Acta Crystallographica Section A Foundations and Advances
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Acta Crystallographica Section A: Foundations and Advances covers theoretical and fundamental aspects of the structure of matter. The journal is the prime forum for research in diffraction physics and the theory of crystallographic structure determination by diffraction methods using X-rays, neutrons and electrons. The structures include periodic and aperiodic crystals, and non-periodic disordered materials, and the corresponding Bragg, satellite and diffuse scattering, thermal motion and symmetry aspects. Spatial resolutions range from the subatomic domain in charge-density studies to nanodimensional imperfections such as dislocations and twin walls. The chemistry encompasses metals, alloys, and inorganic, organic and biological materials. Structure prediction and properties such as the theory of phase transformations are also covered.en-gbCopyright (c) 2018 International Union of CrystallographyInternational Union of CrystallographyInternational Union of Crystallographyhttps://journals.iucr.orgurn:issn:0108-7673Acta Crystallographica Section A: Foundations and Advances covers theoretical and fundamental aspects of the structure of matter. The journal is the prime forum for research in diffraction physics and the theory of crystallographic structure determination by diffraction methods using X-rays, neutrons and electrons. The structures include periodic and aperiodic crystals, and non-periodic disordered materials, and the corresponding Bragg, satellite and diffuse scattering, thermal motion and symmetry aspects. Spatial resolutions range from the subatomic domain in charge-density studies to nanodimensional imperfections such as dislocations and twin walls. The chemistry encompasses metals, alloys, and inorganic, organic and biological materials. Structure prediction and properties such as the theory of phase transformations are also covered.text/htmlActa Crystallographica Section A Foundations and Advancestextdaily12002-01-01T00:00+00:00med@iucr.orgActa Crystallographica Section A Foundations and AdvancesCopyright (c) 2018 International Union of Crystallographyurn:issn:0108-7673Forthcoming article in Acta Crystallographica Section A Foundations and Advanceshttp://journals.iucr.org/logos/rss10a.gif
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Still imageX-ray Laue asymmetrical case plane wave rocking curves depending on deviation from exact Bragg orientation in diffraction plane and in perpendicular to diffraction plane direction
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For asymmetrical Laue case the X-ray rocking curves depending on deviation angles from the exact Bragg orientation in the diffraction plane and in the direction perpendicular to the diffraction plane are investigated.Copyright (c) 2018 International Union of Crystallographyurn:issn:2053-2733Balyandoi:10.1107/S205327331800181XInternational Union of CrystallographyFor asymmetrical Laue case the X-ray rocking curves depending on deviation angles from the exact Bragg orientation in the diffraction plane and in the direction perpendicular to the diffraction plane are investigated.enX-RAYS; DYNAMICAL DIFFRACTION; ROCKING CURVES; DEVIATION ANGLE IN THE DIFFRACTION PLANE; DEVIATION ANGLE IN THE DIRECTION PERPENDICULAR TO DIFFRACTION PLANE; X-RAYS; DYNAMICAL DIFFRACTION; ROCKING CURVES; DEVIATION ANGLE IN THE DIFFRACTION PLANE; DEVIATION ANGLE IN THE DIRECTION PERPENDICULAR TO DIFFRACTION PLANEFor asymmetrical Laue case the X-ray rocking curves depending on deviation angles from the exact Bragg orientation in the diffraction plane and in the direction perpendicular to the diffraction plane are investigated.text/htmlX-ray Laue asymmetrical case plane wave rocking curves depending on deviation from exact Bragg orientation in diffraction plane and in perpendicular to diffraction plane direction textPhasing via pure crystallographic least squares: an unexpected feature
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Copyright (c) 2018 International Union of Crystallographyurn:issn:2053-2733Maria Cristina Burla et al.doi:10.1107/S2053273318001407International Union of CrystallographyenPHASING; LEAST SQUARES; SMALL MOLECULEStext/htmlPhasing via pure crystallographic least squares: an unexpected featuretextGeometry of Crystals, Polycrystals, and Phase Transformations. By Harshad K. D. H. Bhadeshia. CRC Press, 2018. Hardcover, Pp. xv + 251. Price GBP 37.59. ISBN 9781138070783.
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Copyright (c) 2018 International Union of Crystallographyurn:issn:2053-2733Massimo Nespolodoi:International Union of CrystallographyenBOOK REVIEW; GEOMETRY OF CRYSTALS; PHASE TRANSFORMATIONStext/htmlGeometry of Crystals, Polycrystals, and Phase Transformations. By Harshad K. D. H. Bhadeshia. CRC Press, 2018. Hardcover, Pp. xv + 251. Price GBP 37.59. ISBN 9781138070783.textMonoclinic sphere packings. II. Trivariant lattice complexes with mirror symmetry
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All homogeneous sphere packings were derived that refer to the trivariant monoclinic lattice complexes with mirror symmetry.Copyright (c) 2018 International Union of Crystallographyurn:issn:2053-2733Heidrun Sowadoi:10.1107/S2053273318000475International Union of CrystallographyAll homogeneous sphere packings were derived that refer to the trivariant monoclinic lattice complexes with mirror symmetry.enSPHERE PACKINGS; MONOCLINIC CRYSTAL SYSTEM; TRIVARIANT LATTICE COMPLEXESAll homogeneous sphere packings were derived that refer to the trivariant monoclinic lattice complexes with mirror symmetry.text/htmlMonoclinic sphere packings. II. Trivariant lattice complexes with mirror symmetrytextCoordination numbers of the vertex graph of a Penrose tiling
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A description of the coordination sequence of the vertex graph of a Penrose tiling is obtained.Copyright (c) 2018 International Union of Crystallographyurn:issn:2053-2733Shutov and Maleevdoi:10.1107/S2053273318000062International Union of CrystallographyA description of the coordination sequence of the vertex graph of a Penrose tiling is obtained.enVERTEX GRAPHS; PENROSE TILINGS; QUASIPERIODIC GRAPHS; COORDINATION SEQUENCESA description of the coordination sequence of the vertex graph of a Penrose tiling is obtained.text/htmlCoordination numbers of the vertex graph of a Penrose tilingtextThe development of powder profile refinement at the Reactor Centre Netherlands at Petten
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Around 1965 at the Reactor Centre Netherlands at Petten, Loopstra, van Laar and Rietveld developed `profile refinement'. Although Loopstra had the idea, van Laar worked it out mathematically and Rietveld wrote the computer program, the essential contributions of the first two are forgotten when using `Rietveld refinement'.Copyright (c) 2018 International Union of Crystallographyurn:issn:2053-2733van Laar and Schenkdoi:10.1107/S2053273317018435International Union of CrystallographyAround 1965 at the Reactor Centre Netherlands at Petten, Loopstra, van Laar and Rietveld developed `profile refinement'. Although Loopstra had the idea, van Laar worked it out mathematically and Rietveld wrote the computer program, the essential contributions of the first two are forgotten when using `Rietveld refinement'.enPOWDER PROFILE REFINEMENT; PROFILE REFINEMENT; RIETVELD REFINEMENTAround 1965 at the Reactor Centre Netherlands at Petten, Loopstra, van Laar and Rietveld developed `profile refinement'. Although Loopstra had the idea, van Laar worked it out mathematically and Rietveld wrote the computer program, the essential contributions of the first two are forgotten when using `Rietveld refinement'.text/htmlThe development of powder profile refinement at the Reactor Centre Netherlands at PettentextElectron-density critical points analysis and catastrophe theory to forecast structure instability in periodic solids
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Electron-density topology is used to detect instability in periodic solids.Copyright (c) 2018 International Union of Crystallographyurn:issn:2053-2733Merli and Pavesedoi:10.1107/S2053273317018381International Union of CrystallographyElectron-density topology is used to detect instability in periodic solids.enELECTRON-DENSITY CRITICAL POINTS; CATASTROPHE THEORY; PHASE/STATE TRANSITIONS IN CRYSTALS; AB INITIO CALCULATIONSElectron-density topology is used to detect instability in periodic solids.text/htmlElectron-density critical points analysis and catastrophe theory to forecast structure instability in periodic solidstextThe fundamentals of crystal orientation
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New parametric equations are developed for crystal orientation, the solutions of which are free of constraints or approximations and are well suited for determination of crystal orientation with high accuracy and precision. These equations are validated and checked for orienting of single crystals with high precision and accuracy.Copyright (c) 2018 International Union of Crystallographyurn:issn:2053-2733Danut Dragoidoi:10.1107/S2053273317017594International Union of CrystallographyNew parametric equations are developed for crystal orientation, the solutions of which are free of constraints or approximations and are well suited for determination of crystal orientation with high accuracy and precision. These equations are validated and checked for orienting of single crystals with high precision and accuracy.enEXACT SOLUTION FOR CRYSTAL ORIENTATION; PARAMETRIC CRYSTAL ORIENTATION; STEREOGRAPHIC PROJECTION; EXTENDED STEREOGRAPHIC PROJECTION; LINKED SPHERICAL TRIANGLESNew parametric equations are developed for crystal orientation, the solutions of which are free of constraints or approximations and are well suited for determination of crystal orientation with high accuracy and precision. These equations are validated and checked for orienting of single crystals with high precision and accuracy.text/htmlThe fundamentals of crystal orientationtext