Acta Crystallographica Section B-Structural Science Crystal Engineerin

Article	Citations
One-dimensional diffuse scattering of 1,3-di(tert-butyl)cyclopentadienyl pentaphosphaferrocene modelled with closed-form expressions	36
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb n Bi4Te4S	34
Effect of La doping on the structure and cycloidal spin ordering in multiferroic BiFeO3	21
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2], and Synthesis and s	18
Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?	15
Low-temperature phase transition and high-pressure phase stability of 1H-pyrazole-1-carboxamidine nitrate	15
Zharchikhite, AlF(OH)2: a novel structure type related to α-PbO2	15
Circumventing a challenging aspect of crystal structure determination from powder diffraction data	14
EuPdSn2: magnetic structures in view of resonant X-ray Bragg diffraction	13
Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis	13
Cs4Ca[Si8O19]: a new mixed tetrahedral–octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates	13
Exploring the thermal behaviour of the solvated structures of nifedipine	12
Magnetic structure of the noncentrosymmetric magnet Sr2MnSi2O7 through irreducible representation and magnetic space group analyses	10
Mapping high-pressure crystallography in a structural chemistry landscape	10
Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7	10
New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite	9
SARAh – web representational analysis	9
Synthesis and characterization of an organic–inorganic hybrid crystal: 2[Co(en)3](V4O13)·4H2O	9
Shifting and tilting towards enhanced piezoelectricity in high-temperature ceramics: an average structure study of (1 − x)BiFe2/8Ti3/8Mg3/8O3–x	9
Formation of contact and multiple cyclic cassiterite twins in SnO2-based ceramics co-doped with cobalt and niobium oxides	8
Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction	8
Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction	8
Polymorphism of Pb5(PO4)3OHδ within the LK-99 mixture	8
Gladstone–Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with V4+O and V4+O2 vanadyl groups	8
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe3+-doped single-crystal samples	8

Correlated disorder and crystal structure of β-VOSO4	7
Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions	7
Pushing crystallography's frontiers through quantum mechanics	7
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol	7
Crystal structure solution and high-temperature thermal expansion in NaZr2(PO4)3-type materials	7
Morphotropism in fumarolic mineral-related anhydrous sulfates: novel representatives in A + 2 M	6
Design and synthesis of diverse Cd2+/Zn2+/Cu2+ coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescen	6
Guidelines for communicating commensurate magnetic structures. A report of the International Union of Crystallography Commission on Magnetic Structures	6
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl6] under high pressure	6
Effect of pre-rolling aging treatment on evolutions of the microstructure and the texture of aluminium alloy 7005 subjected to heavy cold rolling	5
How much do molecular shapes matter?	5
A rare case of Na/Zn isomorphism in the crystal structure of non-centrosymmetric zincophosphate Na5Zn[Zn(PO4)3]	5
Molecular structures of two copper complexes with the pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domain single-crystal X-ray diffraction	5
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review	5
Response to comment on Properties and interactions – melting point of tribromobenzene isomers	5
Structure stabilization effect of vacancies and entropy in hexagonal WN	5
Structural phase transitions, dehydration and decomposition of ammonium hypodiphosphates	5
Structures and phase transitions in barium sodium niobate tungsten bronze (BNN)	5
The physical space model of the Tsai-type quasicrystal	5
The seventh blind test highlights exciting developments in crystal structure prediction	4
Hydrogen bonding patterns and C—H...π interactions in the structure of the antiparkinsonian drug (R)-rasagiline mesylate determined using laboratory and synchrotron X-ray powder diffraction dat	4
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II)	4
Refinement of the crystal structure of fresnoite, Ba2TiSi2O8, from Löhley (Eifel district, Germany); Gladstone–Dale compatibility, electronic polarizability and vibrat	4
Resolving the structure of V3O7·H2O and Mo-substituted V3O7·H2O	4
Elastic and piezoelectric properties of β-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition	4
Compressibility of structural modulation waves in the chain compounds BaCoX 2O7 (X = As, P): a powder study	4
(Na,Li)3(Cl,OH)[Cu3OAl(PO4)3]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure	4
Three-dimensional electron diffraction on clinkers: the belite α′ H incommensurate modulated structure	4
Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates	4
A linear/quadratic order parameter coupling description of the Verwey transition in magnetite, Fe3O4	4
A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function	4
Crystal structure, XANES and charge distribution investigation of krennerite and sylvanite: analysis of Au—Te and Te—Te bonds in Au1–x Ag	4
Effect of nano-SiC doping on the structure and superconducting properties of Mg(B1–x C x )2	4
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides	4
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. Corrigendum	4
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group	4
Density functional theory investigation of the phase transition, elastic and thermal characteristics for AuMTe2(M = Ga, In) chalcopyrite compounds	4
Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives	4
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug	4
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study	4
Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data	3
Oxonium trans-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid	3
The effect of hydrostatic compression on the crystal structure of glycinium phosphite	3
Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates	3
The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis	3
A general method for searching for homometric structures	3
Current developments and trends in quantum crystallography	3
Polytypism of Ln(SeO3)(HSeO3)·2H2O compounds: synthesis and crystal structure of the first monoclinic modification of Nd(SeO3)(HSeO3)·2H2	3
Following the guidelines for communicating commensurate magnetic structures: real case examples	3
Quo vadis, quantum crystallography?	3

1-Allyl-4-hydroxy-2,2-dioxo-N-(4-methoxyphenyl)-1H-2λ6,1-benzothiazine-3-carboxamide: polymorphic transition due to grinding with the loss of the biological activity	3
Efficient modulation of a barium metal–organic framework using amino acids	3
Ultrasound-assisted synthesis of a Eu3+-functionalized ZnII coordination polymer as a fluorescent dual detection probe for highly sensitive recognition of HgII and	3
Investigation of polar crystalline materials containing hydrochlorothiazide: electron density distribution and optical properties	3
Bromine versus chlorine substituent in breathing crystals of a copper(I) coordination compound with a triazolamine Schiff base	3
A comparison of the isostructural [Co(NH3)5NO2]XNO3 and [Co(NH3)5ONO]XNO3, X = Cl− or Br	3
Crystallization induced by fungi and bacteria	3
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K+·C5H4N5O−·H2O	3
Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV10O28 5−)]0.4[(HGU+	3
Symmetry Relationships between Crystal Structures. Second edition. By Ulrich Müller and Gemma de la Flor. IUCr/Oxford Science Publications, 2024. Pp. XVIII + 368. Price GBP 55.00. ISBN 978-0-19	3
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study	3
Fast crystal growth of amorphous nimesulide: implication of surface effects	3
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes	3
Structural studies of N-(methoxysalicylidene)-fluoroaniline, N-(methoxysalicylidene)-chloroaniline and N-(methoxysalicylidene)-bromoaniline derivatives	3
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S2O3·H2O versus 1-methylpiperazinediium·S2O	3
Application of the method for visualization of noncovalent interactions in conformational polymorphs of four organic acids	3
Structures of Ca5(VO4)3Cl and Ca4.78(1)Na0.22(PO4)3Cl0.78: positions of channel anions and repulsion on the anio	3
Incommensurate magnetic structure of CrAs at low temperatures and high pressures	2
Computational analysis tools for magnetic structures in the Bilbao Crystallographic Server	2
Structural and magnetic properties of Y3(GaAlFe)5O12 liquid-phase epitaxy films with low ferromagnetic resonance losses	2
The study of mineral behavior at low and high temperatures and their properties using a combination of different methods has not become routine yet	2
Crystallography meets orbital-free DFT – two-pronged approach towards chemical bonding characteristics in chemical bonding analysis	2
A four-dimensional model for the Ba–Ti–O dodecagonal quasicrystal	2
Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals	2
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design	2
Structural and magnetic properties of β-Li2IrO3 after grazing-angle focused ion beam thinning	2
Solid-state multinuclear magnetic resonance and X-ray crystallographic investigation of the phosphorus...iodine halogen bond in a bis(dicyclohexylphenylphosphine)(1,6-diiodoperfluorohexane) cocrystal	2
A short note on the use of irreducible representations for tilted octahedra in perovskites	2
Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate	2
Hans-Beat Bürgi in Strasbourg – the story of an encounter	2
Chalcogen Chemistry: Fundamentals and Applications. Edited by Vito Lippolis, Claudio Santi, Eder J. Lenardão and Antonio L. Braga. Royal Society of Chemistry, 2023. Hardcover. Pp. 728. Price EU	2
Principles of Inorganic Materials Design, third edition. By John N. Lalena, David A. Cleary, Olivier B. M. Hardouin Duparc. Wiley, 2020. Hardcover, pp. 720. Price EUR 166.70. ISBN 978-1-119-486	2
Effect of the transition metal on the structure and order–disorder phase transition in layered hybrid metal halides (CH3CH2NH3)2[MCl4] (	2
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groups	2
From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor®)	2
Learning from approximate periodic symmetry in organic P1 structures	2
Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles	2
Computation screening for incorrectly determined cocrystal structures	2
The bond valence model as a prospective approach: examination of the crystal structures of copper chalcogenides with Cu bond valence excess	2
Can the results of quantum refinement be improved with a continuum-solvation model?	2
π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis	2
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2]	2
Synthesis, chiral crystal structure, and magnetic properties of Ba3Ga2O5Cl2	2
Predicting co-crystal structures of N-halide phthalimides with 3,5-dimethylpyridine	2
Electronic structure of (MePh3P)2[NiII(bdtCl2)2]·2(CH3)2SO and (MePh3P)[NiIII(bdtCl2)	2
Study on the vertical Bridgman method of melt-grown CsPbBr3 single crystals for nuclear radiation detection	2
The seventh blind test of crystal structure prediction: structure ranking methods	2
Bone hierarchical structure: spatial variation across length scales	2
N-Iodosaccharin–pyridine co-crystal system under pressure: experimental evidence of reversible twinning	2
Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies	2
Synthesis and properties of Sr2La2NiW2O12, a new S = 1 triangular lattice magnet	2
Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure	2
Rearrangements in the multiverse	2
Structure correlation and dynamics in crystals – a tribute to Hans-Beat Bürgi	1
A recapitulation of magnetic space groups and their UNI symbols	1
Preparation and crystallographic characterization of 1H-tetrazole/NaClO4 energetic cocrystal	1
Magnetic structures in R 5Pt2In4 (R = Tb–Tm) investigated by neutron powder diffraction	1
1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid	1
Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C32H24Cl2N8O2	1
Order–disorder (OD) polytypism of K3FeTe2O8(OH)2(H2O)1+x	1
Ring formation of transition metal trichalcogenide TaSe3 using vapor liquid process	1
Analysis of magnetic structures in JANA2020	1
Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives	1
Magnetic space groups versus representation analysis in the investigation of magnetic structures: the happy end of a strained relationship	1
Obtaining diffuse scattering patterns from computer simulations – a retrospective	1
Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester	1
Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands	1
Engineering the band gap and optical properties of a two-dimensional molybdenum carbon fluoride MXene	1
Synthesis, crystal structure and phase transitions of novel hybrid perovskite: bis(1,2-diaminopropane) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride	1
Structural studies of hydrated rare earth nitrates within the stereoatomic model of crystal structures	1
Exploring new belousovite-related zinc and cadmium alkali sulfate halides: synthesis and structural variability	1
Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors	1
The varying temperature- and pressure-induced phase transition pathways in hybrid improper ferroelectric Sr3Sn2O7	1
Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-ΔPDFs) of yttria-stabilized zirconia	1
Evolution of microstructure and crystallographic texture throughout the rolling process of AA3104	1
A photoinert member of a photosensitive family. Structural studies of cobalt(III) nitropentammine malonate, [Co(NH3)5NO2]C3H2O4, under	1
Structural and magnetic phase transitions in Eu1–x La x Fe3(BO3)4 (x	1
Low-temperature investigation of natural iron-rich oxoborates vonsenite and hulsite: thermal deformations of crystal structure, strong negative thermal expansion and cascades of magnetic transitions	1
Effect of synchrotron X-ray radiation damage on phase transitions in coordination polymers at high pressure	1
Determining magnetic structures in GSAS-II using the Bilbao Crystallographic Server tool k-SUBGROUPSMAG	1

Tailoring the dimensionality of metal complexes via ligand modifications	1
In data we trust: X-ray diffraction experiments for charge density investigations	1
New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations	1
Competition of interactions and a new high-temperature phase of selenourea	1
Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH3(CH2)2NH3]2[Z	1
Structural changes in Rochelle salt on phase transitions revisited in a multi-temperature single-crystal X-ray diffraction study	1
Pyrite contact twins	1
Structural and theoretical studies of amantadinium fenamates	1
A modulated structure derived from the XA-type Mn2RuSn Heusler compound	1
Importance of powder diffraction raw data archival in a curated database for materials science applications	1
Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupledL-phenylalaninate	1
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients	1
New insights into the magnetism and magnetic structure of LuCrO3 perovskite	1
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid	1