most read articles
These are the most read articles in the last six months.
The seventh blind test of crystal structure prediction: structure generation methods. (2024). Acta Cryst. B80, 517-547.
The seventh blind test of crystal structure prediction: structure ranking methods. (2024). Acta Cryst. B80, 548-574.
New ion radii for oxides and oxysalts, fluorides, chlorides and nitrides. (2024). Acta Cryst. B80, 326-339.
Tailoring the dimensionality of metal complexes via ligand modifications. (2024). Acta Cryst. B80, 19-26.
Computation screening for incorrectly determined cocrystal structures. (2025). Acta Cryst. B81, 208-216.
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group. (2025). Acta Cryst. B81, 37-46.
Electric charge and salting in/out effects on glucagon's dipole moments and polarizabilities using the GruPol database. (2025). Acta Cryst. B81, 192-201.
Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure. (2024). Acta Cryst. B80, 695-705.
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe3+-doped single-crystal samples. (2025). Acta Cryst. B81, 84-91.
K0.72Na1.71Ca5.79Si6O19 – the first oligosilicate based on [Si6O19]-hexamers and its stability compared to cyclosilicates. (2024). Acta Cryst. B80, 474-487.
Importance of powder diffraction raw data archival in a curated database for materials science applications. (2024). Acta Cryst. B80, 364-369.
The seventh blind test highlights exciting developments in crystal structure prediction. (2024). Acta Cryst. B80, 514-516.
Following the guidelines for communicating commensurate magnetic structures: real case examples. (2024). Acta Cryst. B80, 235-248.
Symmetry, magnetic transitions and multiferroic properties of B-site-ordered A2MnB′O6 perovskites (B′ = [Co, Ni]). (2024). Acta Cryst. B80, 665-675.
Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?. (2025). Acta Cryst. B81, 217-224.
Structural and magnetic phase transitions in Eu1–xLaxFe3(BO3)4 (x = 0, 0.18). (2025). Acta Cryst. B81, 69-83.
Crystal structures of two new high-pressure oxynitrides with composition SnGe4N4O4, from single-crystal electron diffraction. (2024). Acta Cryst. B80, 182-192.
Structural and magnetic properties of β-Li2IrO3 after grazing-angle focused ion beam thinning. (2025). Acta Cryst. B81, 202-207.
A rare case of Na/Zn isomorphism in the crystal structure of non-centrosymmetric zincophosphate Na5Zn[Zn(PO4)3]. (2025). Acta Cryst. B81, 62-68.
Synthesis and characterization of an organic–inorganic hybrid crystal: 2[Co(en)3](V4O13)·4H2O. (2024). Acta Cryst. B80, 488-494.
New insights into the magnetism and magnetic structure of LuCrO3 perovskite. (2024). Acta Cryst. B80, 377-384.
A comprehensive characterization of thiophosgene in the solid state. (2024). Acta Cryst. B80, 495-503.
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid. (2024). Acta Cryst. B80, 294-304.
Lattice response to the radiation damage of molecular crystals: radiation-induced versus thermal expansivity. (2024). Acta Cryst. B80, 13-18.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients. (2024). Acta Cryst. B80, 4-12.
Photoelasticity of crystals with the scheelite structure: quantum mechanical calculations. (2025). Acta Cryst. B81, 47-54.
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design. (2024). Acta Cryst. B80, 193-200.
Crystal structure solution and high-temperature thermal expansion in NaZr2(PO4)3-type materials. (2024). Acta Cryst. B80, 146-159.
Synthesis and properties of Sr2La2NiW2O12, a new S = 1 triangular lattice magnet. (2024). Acta Cryst. B80, 467-473.
Structural insight into the cooperativity of spin crossover compounds. (2023). Acta Cryst. B79, 354-367.
Review of honeycomb-based Kitaev materials with zigzag magnetic ordering. (2025). Acta Cryst. B81, 11-27.
Computational analysis tools for magnetic structures in the Bilbao Crystallographic Server. (2025). Acta Cryst. B81, 181-191.
A short note on the use of irreducible representations for tilted octahedra in perovskites. (2024). Acta Cryst. B80, 362-363.
Search for missing symmetry in the Inorganic Crystal Structure Database (ICSD). (2024). Acta Cryst. B80, 451-455.
Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. (2024). Acta Cryst. B80, 347-359.
Cs4Ca[Si8O19]: a new mixed tetrahedral–octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates. (2025). Acta Cryst. B81, https://doi.org/10.1107/S2052520625002537.
Determining magnetic structures in GSAS-II using the Bilbao Crystallographic Server tool k-SUBGROUPSMAG. (2024). Acta Cryst. B80, 424-429.
Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals. (2023). Acta Cryst. B79, 380-391.
The varying temperature- and pressure-induced phase transition pathways in hybrid improper ferroelectric Sr3Sn2O7. (2025). Acta Cryst. B81, https://doi.org/10.1107/S2052520625002306.
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. (2025). Acta Cryst. B81, 266-282.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl6] under high pressure. (2024). Acta Cryst. B80, 135-145.
Magnetic structure determination of multiple phases in the multiferroic candidate GdCrO3. (2025). Acta Cryst. B81, https://doi.org/10.1107/S2052520625001921.
A new crystal phase of calcium stannate CaSn2O4(OH)2 and its physico-chemical properties. (2025). Acta Cryst. B81, 225-234.
Crystallography of the litharge to massicot phase transformation from neutron powder diffraction data. (2025). Acta Cryst. B81, 146-160.
A fresh view on the structure and twinning of owyheeite, a rod-polytype and twofold superstructure. (2023). Acta Cryst. B79, 271-280.
Study on the vertical Bridgman method of melt-grown CsPbBr3 single crystals for nuclear radiation detection. (2024). Acta Cryst. B80, 64-71.
Incommensurate magnetic structure of CrAs at low temperatures and high pressures. (2023). Acta Cryst. B79, 473-481.
Three-dimensional electron diffraction on clinkers: the belite α′H incommensurate modulated structure. (2024). Acta Cryst. B80, 105-116.
Crystal structure predictions for molecules with soft degrees of freedom using intermonomer force fields derived from first principles. (2024). Acta Cryst. B80, 628-655.
Disorder- and magnetism-driven structural changes in Sm2Mn1–xGa6–yGey. (2025). Acta Cryst. B81, 235-243.
Electron density and elastic properties of crystalline [Co(NH3)5NO2]ClNO3: a quantum crystallography study. (2025). Acta Cryst. B81, 244-255.
Analytical description of nanowires. III. Regular cross sections for Wurtzite structures. Corrigendum. (2025). Acta Cryst. B81, 290.
Spin reorientation and the interplay of magnetic sublattices in Er2CuMnMn4O12. (2024). Acta Cryst. B80, 656-664.
Crystal structure of nickel orthovanadate (Ni3V2O8) at 299 (3) K and 1323 (8) K: an X-ray diffraction study. (2024). Acta Cryst. B80, 715-723.
Ab initio crystal structures and relative phase stabilities for the aleksite series, PbnBi4Te4Sn+2. (2023). Acta Cryst. B79, 482-494.
Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction. (2024). Acta Cryst. B80, 606-619.
Looking at high-pressure electrides through the lens of quantum crystallography: the case of simple cubic calcium. (2025). Acta Cryst. B81, 256-265.
High-pressure and low-temperature behaviour of organic ferroelectric (R)-3-quinuclidinol. (2025). Acta Cryst. B81, 104-113.
Structural studies of hydrated rare earth nitrates within the stereoatomic model of crystal structures. (2025). Acta Cryst. B81, 128-134.
Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates. (2024). Acta Cryst. B80, 732-737.
Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7. (2024). Acta Cryst. B80, 688-694.
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks. (2024). Acta Cryst. B80, 782-792.
Electron traps and energy storage: modeling a bright path to the future. (2023). Acta Cryst. B79, 430-431.
Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction. (2024). Acta Cryst. B80, 766-781.
Predicting co-crystal structures of N-halide phthalimides with 3,5-dimethylpyridine. (2024). Acta Cryst. B80, 620-627.
Electron density distribution in bis(guanidinium) disodium hypodiphosphate heptahydrate, (CH6N3)2Na2(P2O6)·7H2O. (2025). Acta Cryst. B81, 135-145.
Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate. (2024). Acta Cryst. B80, 676-681.