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) 2017 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) 2017 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 imageConvex polyhedra with minimum and maximum names
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The combinatorial types of convex n-acra with min. and max. names for any n ≥ 4 are found. Thus, the latter can be directly calculated from the adjacency matrices of their edge graphs.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Yury L. Voytekhovskydoi:10.1107/S2053273317004053International Union of CrystallographyThe combinatorial types of convex n-acra with min. and max. names for any n ≥ 4 are found. Thus, the latter can be directly calculated from the adjacency matrices of their edge graphs.enCONVEX POLYHEDRON; EDGE GRAPH; ADJACENCY MATRIX; MINIMUM NAME; MAXIMUM NAME.; CONVEX POLYHEDRON; EDGE GRAPH; ADJACENCY MATRIX; MINIMUM NAME; MAXIMUM NAMEThe combinatorial types of convex n-acra with min. and max. names for any n ≥ 4 are found. Thus, the latter can be directly calculated from the adjacency matrices of their edge graphs.text/htmlConvex polyhedra with minimum and maximum namestextResonant and non-resonant magnetic scatterings with circularly polarized X-rays: Magnetic scattering factor and electron density of gadolinium iron garnet
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The energy dependence of resonant magnetic scattering factors revealed antiparallel magnetic moments within the t2 (3d) orbitals at the Fe K pre-edge. Circular polarization of X-rays is a powerful tool for examining magnetic electrons via both resonant and non-resonant magnetic scattering simultaneously.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Yo Sasaki et al.doi:10.1107/S2053273317003588International Union of CrystallographyThe energy dependence of resonant magnetic scattering factors revealed antiparallel magnetic moments within the t2 (3d) orbitals at the Fe K pre-edge. Circular polarization of X-rays is a powerful tool for examining magnetic electrons via both resonant and non-resonant magnetic scattering simultaneously.enRESONANT MAGNETIC SCATTERING; NON-RESONANT EFFECT; CIRCULAR POLARIZATION; GD IRON GARNET; GD3FE5O12The energy dependence of resonant magnetic scattering factors revealed antiparallel magnetic moments within the t2 (3d) orbitals at the Fe K pre-edge. Circular polarization of X-rays is a powerful tool for examining magnetic electrons via both resonant and non-resonant magnetic scattering simultaneously.text/htmlResonant and non-resonant magnetic scatterings with circularly polarized X-rays: Magnetic scattering factor and electron density of gadolinium iron garnettextOn the Penrose and Taylor–Socolar hexagonal tilings
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Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Lee and Moodydoi:10.1107/S2053273317003576International Union of CrystallographyenPENROSE TILING; TAYLOR-SOCOLAR TILING; DOUBLE HEXAGON TILING; NESTED TRIANGULARIZATIONS; INVERSE SEQUENCES OF HIERARCHICAL LATTICEStext/htmlOn the Penrose and Taylor–Socolar hexagonal tilingstextGroupoids and labelled quotient graphs: a topological analysis of the modular structure in pyroxenes
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A signature of partial symmetry operations acting in orthoenstatite is evidenced in its labelled quotient graph.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Jean-Guillaume Eondoi:10.1107/S2053273317003333International Union of CrystallographyA signature of partial symmetry operations acting in orthoenstatite is evidenced in its labelled quotient graph.enPYROXENES; SPACE GROUPOID; LABELLED QUOTIENT GRAPH; MODULAR STRUCTUREA signature of partial symmetry operations acting in orthoenstatite is evidenced in its labelled quotient graph.text/htmlGroupoids and labelled quotient graphs: a topological analysis of the modular structure in pyroxenestextDiffuse single-crystal scattering corrected for molecular form factor effects
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This paper shows that chemical short-range order in two-component molecular crystals can be solved directly by separating the influence of the molecular form factor.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Schmidt and Nederdoi:10.1107/S2053273317002297International Union of CrystallographyThis paper shows that chemical short-range order in two-component molecular crystals can be solved directly by separating the influence of the molecular form factor.enDIFFUSE SCATTERING; MOLECULAR FORM FACTORThis paper shows that chemical short-range order in two-component molecular crystals can be solved directly by separating the influence of the molecular form factor.text/htmlDiffuse single-crystal scattering corrected for molecular form factor effectstextEdge-2-transitive trinodal polyhedra and 2-periodic tilings
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All trinodal, edge-2-transitive polyhedra and 2-periodic tilings are described.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Delgado-Friedrichs and O'Keeffedoi:10.1107/S2053273317001565International Union of CrystallographyAll trinodal, edge-2-transitive polyhedra and 2-periodic tilings are described.enNETS; TILINGS; MINIMAL TRANSITIVITYAll trinodal, edge-2-transitive polyhedra and 2-periodic tilings are described.text/htmlEdge-2-transitive trinodal polyhedra and 2-periodic tilingstextThe phantom derivative method when a structure model is available: about its theoretical basis
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The phantom derivative phasing method has been generalized via the study of joint probability distribution functions involving the prior knowledge of a model electron-density map or of a molecular model structure.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Maria Cristina Burla et al.doi:10.1107/S2053273317001334International Union of CrystallographyThe phantom derivative phasing method has been generalized via the study of joint probability distribution functions involving the prior knowledge of a model electron-density map or of a molecular model structure.enPHASING; PROTEINS; PHANTOM DERIVATIVE METHODThe phantom derivative phasing method has been generalized via the study of joint probability distribution functions involving the prior knowledge of a model electron-density map or of a molecular model structure.text/htmlThe phantom derivative method when a structure model is available: about its theoretical basistextNon-crystallographic symmetry of liquid metal, flat crystallographic faults and polymorph transformation of the M7C3 carbide
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The crystal structures of M7C3, M5C2, M3C and M23C6 carbides are determined by the finite projective geometry constructions, namely the Desargues configuration 103 and its subconfigurations. The unique mechanism of the liquid-crystal transition and in situ polymorph transformations between these carbides is described within the framework of the same approach.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Alexander L. Talis et al.doi:10.1107/S2053273317000936International Union of CrystallographyThe crystal structures of M7C3, M5C2, M3C and M23C6 carbides are determined by the finite projective geometry constructions, namely the Desargues configuration 103 and its subconfigurations. The unique mechanism of the liquid-crystal transition and in situ polymorph transformations between these carbides is described within the framework of the same approach.enCARBIDE M7C3; CARBIDE M23C6; CARBIDE TRANSFORMATIONS; PROJECTIVE GEOMETRY; FINITE PROJECTIVE GROUPS; DESARGUES CONFIGURATION; HEAT-RESISTANT FE-CR-NI ALLOYSThe crystal structures of M7C3, M5C2, M3C and M23C6 carbides are determined by the finite projective geometry constructions, namely the Desargues configuration 103 and its subconfigurations. The unique mechanism of the liquid-crystal transition and in situ polymorph transformations between these carbides is described within the framework of the same approach.text/htmlNon-crystallographic symmetry of liquid metal, flat crystallographic faults and polymorph transformation of the M7C3 carbidetextX-ray Diffraction for Materials Research: From Fundamentals to Applications. By Myeongkyu Lee. CRC Press, 2016. Hardback, pp. 302. Price GBP 99. ISBN 9781771882989.
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Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Pierre Ferteydoi:10.1107/S2053273317000602International Union of CrystallographyenBOOK REVIEW; X-RAY DIFFRACTION; MATERIALS CHARACTERIZATIONtext/htmlX-ray Diffraction for Materials Research: From Fundamentals to Applications. By Myeongkyu Lee. CRC Press, 2016. Hardback, pp. 302. Price GBP 99. ISBN 9781771882989.text