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) 2015 International Union of CrystallographyInternational Union of CrystallographyInternational Union of Crystallographyhttp://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) 2015 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 imageOn the possibility of using X-ray Compton scattering to study magnetoelectrical properties of crystals
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The possibility of using X-ray Compton scattering to reveal antisymmetric components of the electron momentum density, as a fingerprint of magnetoelectric sample properties, is investigated experimentally and theoretically by studying the polar ferromagnet GaFeO3.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733S. P. Collins et al.doi:10.1107/S2053273316000863International Union of CrystallographyThe possibility of using X-ray Compton scattering to reveal antisymmetric components of the electron momentum density, as a fingerprint of magnetoelectric sample properties, is investigated experimentally and theoretically by studying the polar ferromagnet GaFeO3.enPLEASE PROVIDE KEYWORDSThe possibility of using X-ray Compton scattering to reveal antisymmetric components of the electron momentum density, as a fingerprint of magnetoelectric sample properties, is investigated experimentally and theoretically by studying the polar ferromagnet GaFeO3.text/htmlOn the possibility of using X-ray Compton scattering to study magnetoelectrical properties of crystalstextDynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory
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Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Hoser and Madsendoi:10.1107/S2053273315024699International Union of CrystallographyenLATTICE DYNAMICS; THERMAL MOTION; AB INITIO CALCULATIONS; REFINEMENT; DEBYE-WALLER FACTORStext/htmlDynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. TheorytextMonoclinic sphere packings. I. Invariant, univariant, and bivariant lattice complexes
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All homogeneous sphere packings were derived that refer to the invariant, univariant and bivariant lattice complexes with monoclinic symmetry.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Sowa and Fischerdoi:10.1107/S205327331502450XInternational Union of CrystallographyAll homogeneous sphere packings were derived that refer to the invariant, univariant and bivariant lattice complexes with monoclinic symmetry.enSPHERE PACKINGS; MONOCLINIC CRYSTAL SYSTEM; INVARIANT LATTICE COMPLEXES; UNIVARIANT LATTICE COMPLEXES; BIVARIANT LATTICE COMPLEXES; SPHERE PACKINGS; MONOCLINIC CRYSTAL SYSTEM; INVARIANT LATTICE COMPLEXES; UNIVARIANT LATTICE COMPLEXES; BIVARIANT LATTICE COMPLEXESAll homogeneous sphere packings were derived that refer to the invariant, univariant and bivariant lattice complexes with monoclinic symmetry.text/htmlMonoclinic sphere packings. I. Invariant, univariant, and bivariant lattice complexestextBragg–von Laue diffraction generalized to twisted X-rays
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An X-ray method of structure determination for some important noncrystalline structures is proposed.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Dominik Jüstel et al.doi:10.1107/S2053273315024390International Union of CrystallographyAn X-ray method of structure determination for some important noncrystalline structures is proposed.enX-RAY DIFFRACTION; STRUCTURE DETERMINATION; NONCRYSTALLINE STRUCTURES; TWISTED X-RAYSAn X-ray method of structure determination for some important noncrystalline structures is proposed.text/htmlBragg–von Laue diffraction generalized to twisted X-raystextAnalysis of multicrystal pump–probe data sets. II. Scaling of ratio data sets
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The crucial need for scaling of multicrystal data sets and for the correction of the light-induced response anisotropy inside a data set in time-resolved pump–probe crystallography is discussed. An application of methods developed is presented.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Bertrand Fournier et al.doi:10.1107/S2053273315024055International Union of CrystallographyThe crucial need for scaling of multicrystal data sets and for the correction of the light-induced response anisotropy inside a data set in time-resolved pump–probe crystallography is discussed. An application of methods developed is presented.enDATA SCALING; RATIO METHOD; ABSORPTION ANISOTROPY; PHOTOCRYSTALLOGRAPHY; RESIDUAL ANALYSISThe crucial need for scaling of multicrystal data sets and for the correction of the light-induced response anisotropy inside a data set in time-resolved pump–probe crystallography is discussed. An application of methods developed is presented.text/htmlAnalysis of multicrystal pump–probe data sets. II. Scaling of ratio data setstextCryogenic coherent X-ray diffraction imaging of biological samples at SACLA: a correlative approach with cryo-electron and light microscopy
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Cryogenic coherent X-ray diffraction imaging can be used for structural analysis of unstained, non-crystalline, whole biological samples such as cells and cell organelles. This article reports on current and future applications of cryo-coherent diffraction imaging with the X-ray free-electron laser (XFEL) at the Japanese XFEL facility, SACLA, and demonstrates the merit of a correlative approach with cryo-electron and light microscopy.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Takayama and Yonekuradoi:10.1107/S2053273315023980International Union of CrystallographyCryogenic coherent X-ray diffraction imaging can be used for structural analysis of unstained, non-crystalline, whole biological samples such as cells and cell organelles. This article reports on current and future applications of cryo-coherent diffraction imaging with the X-ray free-electron laser (XFEL) at the Japanese XFEL facility, SACLA, and demonstrates the merit of a correlative approach with cryo-electron and light microscopy.enCOHERENT X-RAY DIFFRACTION IMAGING; X-RAY FREE-ELECTRON LASERS; FROZEN-HYDRATED NON-CRYSTALLINE SAMPLES; STRUCTURAL ANALYSIS; CORRELATIVE MICROSCOPYCryogenic coherent X-ray diffraction imaging can be used for structural analysis of unstained, non-crystalline, whole biological samples such as cells and cell organelles. This article reports on current and future applications of cryo-coherent diffraction imaging with the X-ray free-electron laser (XFEL) at the Japanese XFEL facility, SACLA, and demonstrates the merit of a correlative approach with cryo-electron and light microscopy.text/htmlCryogenic coherent X-ray diffraction imaging of biological samples at SACLA: a correlative approach with cryo-electron and light microscopytextTopological features in crystal structures: a quotient graph assisted analysis of underlying nets and their embeddings
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Algebraic and surgery techniques are applied to labelled quotient graphs of crystal structures to perform ring analysis and structural decomposition into subperiodic blocks.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Jean-Guillaume Eondoi:10.1107/S2053273315022950International Union of CrystallographyAlgebraic and surgery techniques are applied to labelled quotient graphs of crystal structures to perform ring analysis and structural decomposition into subperiodic blocks.enPLEASE PROVIDE KEYWORDSAlgebraic and surgery techniques are applied to labelled quotient graphs of crystal structures to perform ring analysis and structural decomposition into subperiodic blocks.text/htmlTopological features in crystal structures: a quotient graph assisted analysis of underlying nets and their embeddingstextWiener index on rows of unit cells of the face-centred cubic lattice
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The Wiener index of various graphs represents a structure compactness measure of the graph. The face-centred cubic lattice is one of the most usual crystal lattices; in this paper, the Wiener index of its graph is computed having unit cells in a row.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Mujahed and Nagydoi:10.1107/S2053273315022743International Union of CrystallographyThe Wiener index of various graphs represents a structure compactness measure of the graph. The face-centred cubic lattice is one of the most usual crystal lattices; in this paper, the Wiener index of its graph is computed having unit cells in a row.enWIENER INDEX; FACE-CENTRED CUBIC LATTICE; SHORTEST PATHS; NON-TRADITIONAL GRIDS; COMBINATORICS ON GRIDSThe Wiener index of various graphs represents a structure compactness measure of the graph. The face-centred cubic lattice is one of the most usual crystal lattices; in this paper, the Wiener index of its graph is computed having unit cells in a row.text/htmlWiener index on rows of unit cells of the face-centred cubic latticetextAb initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector
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A specialized quantum area detector for electron diffraction studies makes it possible to solve the structure of small organic compound nanocrystals in non-cryo conditions by direct methods.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733E. van Genderen et al.doi:10.1107/S2053273315022500International Union of CrystallographyA specialized quantum area detector for electron diffraction studies makes it possible to solve the structure of small organic compound nanocrystals in non-cryo conditions by direct methods.enELECTRON NANOCRYSTALLOGRAPHY; TIMEPIX QUANTUM AREA DETECTOR; CARBAMAZEPINE; NICOTINIC ACID; ELECTRON DIFFRACTION STRUCTURE DETERMINATIONA specialized quantum area detector for electron diffraction studies makes it possible to solve the structure of small organic compound nanocrystals in non-cryo conditions by direct methods.text/htmlAb initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detectortextThree-dimensional propagation in near-field tomographic X-ray phase retrieval
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An extension of phase retrieval algorithms for near-field X-ray (propagation) imaging to three dimensions is presented, enhancing the quality of the reconstruction by exploiting previously unused three-dimensional consistency constraints.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Ruhlandt and Saldittdoi:10.1107/S2053273315022469International Union of CrystallographyAn extension of phase retrieval algorithms for near-field X-ray (propagation) imaging to three dimensions is presented, enhancing the quality of the reconstruction by exploiting previously unused three-dimensional consistency constraints.enTOMOGRAPHY; PHASE RETRIEVAL; X-RAY IMAGINGAn extension of phase retrieval algorithms for near-field X-ray (propagation) imaging to three dimensions is presented, enhancing the quality of the reconstruction by exploiting previously unused three-dimensional consistency constraints.text/htmlThree-dimensional propagation in near-field tomographic X-ray phase retrievaltextAnion order in perovskites: a group-theoretical analysis
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All aristotypes of anion superstructures in the perovskite family of crystals are established. The calculated structures of some anion superstructures are reported.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733M. V. Talanov et al.doi:10.1107/S2053273315022147International Union of CrystallographyAll aristotypes of anion superstructures in the perovskite family of crystals are established. The calculated structures of some anion superstructures are reported.enGROUP-THEORETICAL ANALYSIS; ANION ORDER; PEROVSKITES; ARISTOTYPES; SUPERSTRUCTURES; OXYGEN VACANCY ORDERINGAll aristotypes of anion superstructures in the perovskite family of crystals are established. The calculated structures of some anion superstructures are reported.text/htmlAnion order in perovskites: a group-theoretical analysistextModern X-ray Analysis on Single Crystals. A Practical Guide. Second edition. By Peter Luger. De Gruyter, 2014. Pp. xi+334. Price EUR 119.95/USD 168.00/GBP 89.99. ISBN 978-3-11-030823-5.
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Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Claude Lecomtedoi:10.1107/S205327331502121XInternational Union of CrystallographyenBOOK REVIEW; X-RAY ANALYSIS; SINGLE CRYSTALStext/htmlModern X-ray Analysis on Single Crystals. A Practical Guide. Second edition. By Peter Luger. De Gruyter, 2014. Pp. xi+334. Price EUR 119.95/USD 168.00/GBP 89.99. ISBN 978-3-11-030823-5.text