most read articles
These are the most read articles in the last six months.
N-Iodosaccharin–pyridine co-crystal system under pressure: experimental evidence of reversible twinning. (2022). Acta Cryst. B78, 436-449.
Interplay of thermal diffuse scattering and correlated compositional disorder in KCl1–xBrx. (2022). Acta Cryst. B78, 385-391.
Role of lone-pair electron localization in temperature-induced phase transitions in mimetite. (2022). Acta Cryst. B78, 618-626.
Bone hierarchical structure: spatial variation across length scales. (2022). Acta Cryst. B78, 305-311.
Dynamics and disorder: on the stability of pyrazinamide polymorphs. (2022). Acta Cryst. B78, 416-424.
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review. (2022). Acta Cryst. B78, 312-332.
Obtaining diffuse scattering patterns from computer simulations – a retrospective. (2022). Acta Cryst. B78, 344-355.
Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material. (2022). Acta Cryst. B78, 376-384.
Dynamic simulation of orientational disorder in organic crystals: methyl groups, trifluoromethyl groups and whole molecules. (2022). Acta Cryst. B78, 333-343.
Formation of contact and multiple cyclic cassiterite twins in SnO2-based ceramics co-doped with cobalt and niobium oxides. (2022). Acta Cryst. B78, 695-709.
Structure correlation and dynamics in crystals – a tribute to Hans-Beat Bürgi. (2022). Acta Cryst. B78, 281-282.
Preliminary observations of the interplay of radiation damage with spin crossover. (2022). Acta Cryst. B78, 392-396.
Metastable disordered phase in flash-frozen Prussian Blue analogues. (2022). Acta Cryst. B78, 369-375.
Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes. (2022). Acta Cryst. B78, 520-536.
π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis. (2022). Acta Cryst. B78, 231-246.
Temperature-dependent crystal structure investigation of 4f hybridized thermoelectric clathrate Ba8–xCexAuySi46–y. (2022). Acta Cryst. B78, 359-368.
Mesocrystalline structure and mechanical properties of biogenic calcite from sea urchin spine. (2022). Acta Cryst. B78, 356-358.
Circumventing a challenging aspect of crystal structure determination from powder diffraction data. (2022). Acta Cryst. B78, 96-99.
A four-dimensional model for the Ba–Ti–O dodecagonal quasicrystal. (2022). Acta Cryst. B78, 247-252.
Phase transitions and (p–T–X) behaviour of centrosymmetric perovskites: modelling with transformed crystallographic data. (2022). Acta Cryst. B78, 40-60.
Collaboration with Hans-Beat Bürgi: crystallography at Bern and Lausanne. (2022). Acta Cryst. B78, 292-294.
Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals. (2022). Acta Cryst. B78, 476-484.
Synthesis and investigation of the thermal properties of [Co(NH3)6][Co(C2O4)3]·3H2O and [Ir(NH3)6][Ir(C2O4)3]. (2022). Acta Cryst. B78, 537-545.
Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester. (2022). Acta Cryst. B78, 450-458.
Crystal structure, absolute configuration and characteristic temperatures of SmFe3(BO3)4 in the temperature range 11–400 K. (2022). Acta Cryst. B78, 546-556.
Polymorphic transition due to grinding: the case of 3-[1-(tert-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid. (2022). Acta Cryst. B78, 510-519.
Defects in hafnium-doped lutetium oxide and the corresponding electron traps: a meta-generalized gradient approximation study. (2022). Acta Cryst. B78, 564-575.
Exploring new belousovite-related zinc and cadmium alkali sulfate halides: synthesis and structural variability. (2022). Acta Cryst. B78, 499-509.
Analytical description of nanowires III: regular cross sections for wurtzite structures. (2022). Acta Cryst. B78, 665-677.
A modulated structure derived from the XA-type Mn2RuSn Heusler compound. (2022). Acta Cryst. B78, 485-489.
Engineering the band gap and optical properties of a two-dimensional molybdenum carbon fluoride MXene. (2022). Acta Cryst. B78, 714-720.
Structural properties of defective (CH3NH3)2Cu(Cl1–xBrx)4 compounds. (2022). Acta Cryst. B78, 425-435.
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2]. (2022). Acta Cryst. B78, 835-841.
Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors. (2022). Acta Cryst. B78, 745-755.
One-dimensional diffuse scattering of 1,3-di(tert-butyl)cyclopentadienyl pentaphosphaferrocene modelled with closed-form expressions. (2022). Acta Cryst. B78, 734-744.
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study. (2022). Acta Cryst. B78, 868-875.
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol. (2022). Acta Cryst. B78, 857-867.
Learning from approximate periodic symmetry in organic P1 structures. (2022). Acta Cryst. B78, 712-713.
Structure of boehmite-derived γ-alumina and its transformation mechanism revealed by electron crystallography. (2021). Acta Cryst. B77, 772-784.
Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction. (2021). Acta Cryst. B77, 662-675.
Czochralski growth of mixed cubic sesquioxide crystals in the ternary system Lu2O3–Sc2O3–Y2O3. (2021). Acta Cryst. B77, 550-558.
Modelling the structural variation of quartz and germanium dioxide with temperature by means of transformed crystallographic data. (2021). Acta Cryst. B77, 427-440.
Detailed analysis of deformation potentials with application in orbital-free density functional theory. (2021). Acta Cryst. B77, 458-466.
Comparison of the temperature- and pressure-dependent behavior of the crystal structure of CrAs. (2021). Acta Cryst. B77, 594-604.
Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite. (2021). Acta Cryst. B77, 537-549.
Mg(H2O)2[TeO2(OH)4]: a polytypic structure with a two-mode disordered stacking arrangement. (2021). Acta Cryst. B77, 605-623.
Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments. (2021). Acta Cryst. B77, 892-905.
Crystal structure of Z-DNA in complex with the polyamine putrescine and potassium cations at ultra-high resolution. (2021). Acta Cryst. B77, 331-338.
Can the results of quantum refinement be improved with a continuum-solvation model?. (2021). Acta Cryst. B77, 906-918.
2/1 and 1/1 cubic approximants in the ternary R-Cd-Mg (R = Y, Er) systems. (2021). Acta Cryst. B77, 638-648.
A survey of thermal expansion coefficients for organic molecular crystals in the Cambridge Structural Database. (2021). Acta Cryst. B77, 357-364.
A novel energetic cocrystal composed of CL-20 and 1-methyl-2,4,5-trinitroimidazole with high energy and low sensitivity. (2022). Acta Cryst. B78, 133-139.
Properties and interactions – melting point of tribromobenzene isomers. (2021). Acta Cryst. B77, 632-637.
Interpreting the different emissive properties of cyclic triimidazole-based CuI and AgI coordination polymers: a QTAIM and IQA study. (2021). Acta Cryst. B77, 865-870.
Effect of synchrotron X-ray radiation damage on phase transitions in coordination polymers at high pressure. (2022). Acta Cryst. B78, 100-106.
A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function. (2021). Acta Cryst. B77, 986-995.
Crystal and magnetic structures of R2Ni1.78In compounds (R = Tb, Ho, Er and Tm). (2021). Acta Cryst. B77, 824-832.
Unusual thermal expansion in organic molecular crystals: a rare phenomenon. (2021). Acta Cryst. B77, 309-310.
Mapping high-pressure crystallography in a structural chemistry landscape. (2021). Acta Cryst. B77, 930-931.
Crystallography meets orbital-free DFT – two-pronged approach towards chemical bonding characteristics in chemical bonding analysis. (2021). Acta Cryst. B77, 932-933.
Impact of synchrotron X-ray radiation damage on a molecular ferroelectric crystal. (2021). Acta Cryst. B77, 307-308.
High-pressure and environment effects in selenourea and its labile crystal field around molecules. (2021). Acta Cryst. B77, 449-455.
The potential of dispersion-corrected density functional theory calculations for distinguishing between salts and cocrystals. (2022). Acta Cryst. B78, 781-788.
Evolution of microstructure and crystallographic texture throughout the rolling process of AA3104. (2022). Acta Cryst. B78, 721-733.
Elucidation of molecular crystals with one-, two- or three-dimensional geometrical models. (2023). Acta Cryst. B79, 1-2.
Zr3Mn3Sn4Ga: a new hexagonal Ti6Sn5-type quaternary intermetallic. (2022). Acta Cryst. B78, 817-822.
New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations. (2022). Acta Cryst. B78, 823-834.
Symmetry analysis of complex magnetic structure in monoclinically distorted Er3Cu4Sn4. (2021). Acta Cryst. B77, 219-224.
Analytical description of nanowires. I. Regular cross sections for zincblende and diamond structures. Corrigendum. (2021). Acta Cryst. B77, 861.
A general model for the crystal structure of orthorhombic martensite in Ti alloys. (2021). Acta Cryst. B77, 749-762.
Synthesis, chiral crystal structure, and magnetic properties of Ba3Ga2O5Cl2. (2022). Acta Cryst. B78, 589-592.
Fast crystal growth of amorphous nimesulide: implication of surface effects. (2022). Acta Cryst. B78, 33-39.
The effect of hydrostatic compression on the crystal structure of glycinium phosphite. (2022). Acta Cryst. B78, 756-762.
Preparation and crystallographic characterization of 1H-tetrazole/NaClO4 energetic cocrystal. (2022). Acta Cryst. B78, 876-883.