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, https://doi.org/10.1107/S2052520624007492.
The seventh blind test of crystal structure prediction: structure ranking methods. (2024). Acta Cryst. B80, https://doi.org/10.1107/S2052520624008679.
New ion radii for oxides and oxysalts, fluorides, chlorides and nitrides. (2024). Acta Cryst. B80, 326-339.
Crystal structures of two new high-pressure oxynitrides with composition SnGe4N4O4, from single-crystal electron diffraction. (2024). Acta Cryst. B80, 182-192.
Crystal structure solution and high-temperature thermal expansion in NaZr2(PO4)3-type materials. (2024). Acta Cryst. B80, 146-159.
Importance of powder diffraction raw data archival in a curated database for materials science applications. (2024). Acta Cryst. B80, 364-369.
New insights into the magnetism and magnetic structure of LuCrO3 perovskite. (2024). Acta Cryst. B80, 377-384.
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.
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid. (2024). Acta Cryst. B80, 294-304.
K0.72Na1.71Ca5.79Si6O19 – the first oligosilicate based on [Si6O19]-hexamers and its stability compared to cyclosilicates. (2024). Acta Cryst. B80, 474-487.
Following the guidelines for communicating commensurate magnetic structures: real case examples. (2024). Acta Cryst. B80, 235-248.
Synthesis and properties of Sr2La2NiW2O12, a new S = 1 triangular lattice magnet. (2024). Acta Cryst. B80, 467-473.
Ring formation of transition metal trichalcogenide TaSe3 using vapor liquid process. (2024). Acta Cryst. B80, 305-310.
Synthesis and characterization of an organic–inorganic hybrid crystal: 2[Co(en)3](V4O13)·4H2O. (2024). Acta Cryst. B80, 488-494.
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design. (2024). Acta Cryst. B80, 193-200.
Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. (2024). Acta Cryst. B80, 347-359.
Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles. (2024). Acta Cryst. B80, https://doi.org/10.1107/S205252062400132X.
A comprehensive characterization of thiophosgene in the solid state. (2024). Acta Cryst. B80, 495-503.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients. (2024). Acta Cryst. B80, 4-12.
Multiscale structure of LaAlO3 from single-crystal X-ray diffraction. (2024). Acta Cryst. B80, 275-280.
Determining magnetic structures in GSAS-II using the Bilbao Crystallographic Server tool k-SUBGROUPSMAG. (2024). Acta Cryst. B80, 424-429.
Lattice response to the radiation damage of molecular crystals: radiation-induced versus thermal expansivity. (2024). Acta Cryst. B80, 13-18.
Assessment of the exchange-hole dipole moment dispersion correction for the energy ranking stage of the seventh crystal structure prediction blind test. (2024). Acta Cryst. B80, https://doi.org/10.1107/S2052520624002774.
Structural insight into the cooperativity of spin crossover compounds. (2023). Acta Cryst. B79, 354-367.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl6] under high pressure. (2024). Acta Cryst. B80, 135-145.
Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals. (2023). Acta Cryst. B79, 380-391.
Tailoring the dimensionality of metal complexes via ligand modifications. (2024). Acta Cryst. B80, 19-26.
Magnetic structures in R5Pt2In4 (R = Tb–Tm) investigated by neutron powder diffraction. (2024). Acta Cryst. B80, 281-293.
Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C32H24Cl2N8O2. (2023). Acta Cryst. B79, 122-137.
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.
Exploring the thermal behaviour of the solvated structures of nifedipine. (2023). Acta Cryst. B79, 164-175.
Three-dimensional electron diffraction on clinkers: the belite α′H incommensurate modulated structure. (2024). Acta Cryst. B80, 105-116.
A comparative study of the effect of high-pressure and low temperature on the crystal structure of lithium xanthinate hydrate. (2024). Acta Cryst. B80, 311-325.
Magnetic structure of the noncentrosymmetric magnet Sr2MnSi2O7 through irreducible representation and magnetic space group analyses. (2024). Acta Cryst. B80, 393-400.
A fresh view on the structure and twinning of owyheeite, a rod-polytype and twofold superstructure. (2023). Acta Cryst. B79, 271-280.
Electron traps and energy storage: modeling a bright path to the future. (2023). Acta Cryst. B79, 430-431.
From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor®). (2024). Acta Cryst. B80, https://doi.org/10.1107/S2052520624008722.
Crystal structure of new quaternary intermetallic compounds R2MoSi2C (R = Y, Gd). (2024). Acta Cryst. B80, 504-508.
Incommensurate structures and radiation damage in Rb2V3O8 and K2V3O8 mixed-valence vanadate fresnoites. (2023). Acta Cryst. B79, 104-113.
Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupled L-phenylalaninate. (2023). Acta Cryst. B79, 148-156.
Low-dimensional metal–organic frameworks: a pathway to design, explore and tune magnetic structures. (2024). Acta Cryst. B80, 430-442.
Ab initio crystal structures and relative phase stabilities for the aleksite series, PbnBi4Te4Sn+2. (2023). Acta Cryst. B79, 482-494.
Hydrogen- and halogen-bonding-directed trimeric supramolecular motifs in dihalogenated 1,2,4-triazoles. (2024). Acta Cryst. B80, 163-170.
Orientational and crystallographic relationships in thin films of yttrium orthoferrite on sapphire substrates. (2024). Acta Cryst. B80, 340-346.
Solid-state versatility in tranexamic acid drug: structural and thermal behavior of new salts and cocrystals. (2023). Acta Cryst. B79, 78-97.
Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure. (2024). Acta Cryst. B80, https://doi.org/10.1107/S205252062400903X.
Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate. (2024). Acta Cryst. B80, 201-207.
In data we trust: X-ray diffraction experiments for charge density investigations. (2023). Acta Cryst. B79, 344-345.
Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction. (2024). Acta Cryst. B80, https://doi.org/10.1107/S2052520624005043.
Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate. (2024). Acta Cryst. B80, https://doi.org/10.1107/S2052520624008710.
The incommensurate composite YxOs4B4 (x = 1.161). (2024). Acta Cryst. B80, https://doi.org/10.1107/S205252062400982X.
Structural changes in Rochelle salt on phase transitions revisited in a multi-temperature single-crystal X-ray diffraction study. (2024). Acta Cryst. B80, 94-104.
A drug–drug cocrystal and a co-amorphous form, prepared from honokiol and ligustrazine, inspired by Chinese patent medicine. (2023). Acta Cryst. B79, 519-524.
Spin reorientation and the interplay of magnetic sublattices in Er2CuMnMn4O12. (2024). Acta Cryst. B80, https://doi.org/10.1107/S2052520624008965.
Efficient modulation of a barium metal–organic framework using amino acids. (2023). Acta Cryst. B79, 114-121.
Elucidation of molecular crystals with one-, two- or three-dimensional geometrical models. (2023). Acta Cryst. B79, 1-2.
Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7. (2024). Acta Cryst. B80, https://doi.org/10.1107/S2052520624008096.
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques. (2023). Acta Cryst. B79, 253-254.
Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives. (2024). Acta Cryst. B80, 117-125.
Effect of nano-SiC doping on the structure and superconducting properties of Mg(B1–xCx)2. (2023). Acta Cryst. B79, 73-77.
Competition of interactions and a new high-temperature phase of selenourea. (2023). Acta Cryst. B79, 64-72.
Arsenic(III) oxide intercalate with ammonium chloride: crystal structure revision and thermal characterization. (2023). Acta Cryst. B79, 207-212.
Crystal structure of nickel orthovanadate (Ni3V2O8) at 299 (3) K and 1323 (8) K: an X-ray diffraction study. (2024). Acta Cryst. B80, https://doi.org/10.1107/S2052520624006966.
Structural and magnetic properties of Y3(GaAlFe)5O12 liquid-phase epitaxy films with low ferromagnetic resonance losses. (2023). Acta Cryst. B79, 157-163.