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Experimental observation of carousel-like phason flips in the decagonal quasicrystal Al60Cr20Fe10Si10

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2021; 77 ()

Quasicrystals have special crystal structures with long-range order, but without translational symmetry. Unexpectedly, carousel-like successive flippi......

A reference-based multi-lattice indexing method integrating prior information correction and iterative refinement in protein crystallography

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2021; 77 ()

A new multi-lattice indexing method based on the principle of whole-pattern matching given cell dimensions and space-group symmetry is presented for m......

Spin-resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO3 perovskite

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2021; 77 ()

A new crystallographic method is proposed in order to refine a spin-resolved atomic orbital model against X-ray and polarized neutron diffraction data......

The maximum surface area polyhedron with five vertices inscribed in the sphere S-2

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2021; 77 ()

This article focuses on the problem of analytically determining the optimal placement of five points on the unit sphere S-2 so that the surface area o......

SPIND-TC: an indexing method for two-color X-ray diffraction data

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2020; 76 ()

Recent developments of two-color operation modes at X-ray free-electron laser facilities provide new research opportunities, such as X-ray pump/X-ray ......

Derived crystal structure of martensitic materials by solid-solid phase transformation

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2020; 76 ()

A mathematical description of crystal structure is proposed consisting of two parts: the underlying translational periodicity and the distinct atomic ......

Mathematical aspects of molecular replacement. V. Isolating feasible regions in motion spaces

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2020; 76 ()

This paper mathematically characterizes the tiny feasible regions within the vast 6D rotation-translation space in a full molecular replacement (MR) s......

Quasicrystal-related mosaics with periodic lattices interlaid with aperiodic tiles

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2020; 76 ()

Quasicrystals, which have long-range orientational order without translational symmetry, are incompatible with the theory of conventional crystals, wh......

Resolving 500 nm axial separation by multi-slice X-ray ptychography

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2019; 75 ()

Multi-slice X-ray ptychography offers an approach to achieve images with a nanometre-scale resolution from samples with thicknesses larger than the de......

JIF:1.88

A side-by-side comparison of the solidification dynamics of quasicrystalline and approximant phases in the Al-Co-Ni system

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2019; 75 ()

Quasicrystals and their approximants have triggered widespread interest due to the challenge of solving their complex crystal structures as well as th......

JIF:1.88

Data-driven approach for synchrotron X-ray Laue microdiffraction scan analysis

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2019; 75 ()

A novel data-driven approach is proposed for analyzing synchrotron Laue X-ray microdiffraction scans based on machine learning algorithms. The basic a......

JIF:1.88

Partially coherent ptychography by gradient decomposition of the probe

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2018; 74 ()

Coherent ptychographic imaging experiments often discard the majority of the flux from a light source to define the coherence of the illumination. Eve......

JIF:1.88

Blind lattice-parameter determination of cubic and tetragonal phases with high accuracy using a single EBSD pattern

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2018; 74 ()

The Bravais lattices and their lattice parameters are blindly determined using electron backscatter diffraction (EBSD) patterns of materials with cubi......

JIF:1.88

Monte Carlo simulation of an anharmonic Debye-Waller factor to the T-4 order

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2017; 73 ( )

In an increasing number of cases the harmonic approximation is incommensurate with the quality of Bragg diffraction data, while results of the anharmo......

JIF:7.93

Real-time detection and resolution of atom bumping in crystallographic models

期刊: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2017; 73 ( )

A basic principle in crystal structure determination is that there should be proper distances between adjacent atoms. Therefore, detection of atom bum......

JIF:7.93

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