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	50
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb n Bi4Te4S	46
Effect of La doping on the structure and cycloidal spin ordering in multiferroic BiFeO3	23
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2], and Synthesis and s	19
Zharchikhite, AlF(OH)2: a novel structure type related to α-PbO2	18
Circumventing a challenging aspect of crystal structure determination from powder diffraction data	18
Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?	15
EuPdSn2: magnetic structures in view of resonant X-ray Bragg diffraction	15
Cs4Ca[Si8O19]: a new mixed tetrahedral–octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates	14
Magnetic structure of the noncentrosymmetric magnet Sr2MnSi2O7 through irreducible representation and magnetic space group analyses	13
Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7	12
Synthesis and characterization of an organic–inorganic hybrid crystal: 2[Co(en)3](V4O13)·4H2O	11
Shifting and tilting towards enhanced piezoelectricity in high-temperature ceramics: an average structure study of (1 − x)BiFe2/8Ti3/8Mg3/8O3–x	10
Exploring the thermal behaviour of the solvated structures of nifedipine	10
New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite	10
SARAh – web representational analysis	10
Polymorphism of Pb5(PO4)3OHδ within the LK-99 mixture	9
Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction	9
Gladstone–Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with V4+O and V4+O2 vanadyl groups	9
Formation of contact and multiple cyclic cassiterite twins in SnO2-based ceramics co-doped with cobalt and niobium oxides	8
The charge density and force-field view of bonding interactions in crystals with photomechanical properties: [Co(NH 3 ) 5	8
Crystal structure solution and high-temperature thermal expansion in NaZr2(PO4)3-type materials	8
Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction	8
Pushing crystallography's frontiers through quantum mechanics	8
Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions	8

Correlated disorder and crystal structure of β-VOSO4	8
Morphotropism in fumarolic mineral-related anhydrous sulfates: novel representatives in A + 2 M	7
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol	7
Guidelines for communicating commensurate magnetic structures. A report of the International Union of Crystallography Commission on Magnetic Structures	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
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl6] under high pressure	6
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe 3+ -doped single-crystal samples	6
Structure stabilization effect of vacancies and entropy in hexagonal WN	6
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review	5
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
The seventh blind test highlights exciting developments in crystal structure prediction	5
Response to comment on Properties and interactions – melting point of tribromobenzene isomers	5
A rare case of Na/Zn isomorphism in the crystal structure of non-centrosymmetric zincophosphate Na 5 Zn[Zn(PO 4	5
Structural phase transitions, dehydration and decomposition of ammonium hypodiphosphates	5
(Na,Li)3(Cl,OH)[Cu3OAl(PO4)3]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure	5
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. Corrigendum	5
The physical space model of the Tsai-type quasicrystal	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
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides	5
Three-dimensional electron diffraction on clinkers: the belite α′ H incommensurate modulated structure	5
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study	4
Crystallization induced by fungi and bacteria	4
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes	4
Polytypism of Ln(SeO3)(HSeO3)·2H2O compounds: synthesis and crystal structure of the first monoclinic modification of Nd(SeO3)(HSeO3)·2H2	4
Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates	4
Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives	4
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group	4
Refinement of the crystal structure of fresnoite, Ba2TiSi2O8, from Löhley (Eifel district, Germany); Gladstone–Dale compatibility, electronic polarizability and vibrat	4
Effect of nano-SiC doping on the structure and superconducting properties of Mg(B1–x C x )2	4
A comparison of the isostructural [Co(NH3)5NO2]XNO3 and [Co(NH3)5ONO]XNO3, X = Cl− or Br	4
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	4
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S2O3·H2O versus 1-methylpiperazinediium·S2O	4
A general method for searching for homometric structures	4
Application of the method for visualization of noncovalent interactions in conformational polymorphs of four organic acids	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
Crystal structure, XANES and charge distribution investigation of krennerite and sylvanite: analysis of Au—Te and Te—Te bonds in Au1–x Ag	4
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II)	4
Density functional theory investigation of the phase transition, elastic and thermal characteristics for AuMTe2(M = Ga, In) chalcopyrite compounds	4
A linear/quadratic order parameter coupling description of the Verwey transition in magnetite, Fe3O4	4
The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis	4
The effect of hydrostatic compression on the crystal structure of glycinium phosphite	4
Ultrasound-assisted synthesis of a Eu3+-functionalized ZnII coordination polymer as a fluorescent dual detection probe for highly sensitive recognition of HgII and	4
Bromine versus chlorine substituent in breathing crystals of a copper(I) coordination compound with a triazolamine Schiff base	4
Current developments and trends in quantum crystallography	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
Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates	4
Bone hierarchical structure: spatial variation across length scales	3

Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals	3
The study of mineral behavior at low and high temperatures and their properties using a combination of different methods has not become routine yet	3
Predicting co-crystal structures of N-halide phthalimides with 3,5-dimethylpyridine	3
From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor®)	3
Study on the vertical Bridgman method of melt-grown CsPbBr3 single crystals for nuclear radiation detection	3
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K+·C5H4N5O−·H2O	3
The seventh blind test of crystal structure prediction: structure ranking methods	3
Efficient modulation of a barium metal–organic framework using amino acids	3
Following the guidelines for communicating commensurate magnetic structures: real case examples	3
Learning from approximate periodic symmetry in organic P1 structures	3
Computational analysis tools for magnetic structures in the Bilbao Crystallographic Server	3
Structural and magnetic properties of β-Li2IrO3 after grazing-angle focused ion beam thinning	3
A four-dimensional model for the Ba–Ti–O dodecagonal quasicrystal	3
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design	3
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study	3
Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data	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
N-Iodosaccharin–pyridine co-crystal system under pressure: experimental evidence of reversible twinning	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
Proton tautomerism in 5-dimethylaminomethylidene-4-( o -, m -, p	3
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	3
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional group	3
Computation screening for incorrectly determined cocrystal structures	3
Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles	3
Fast crystal growth of amorphous nimesulide: implication of surface effects	3
Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV10O28 5−)]0.4[(HGU+	3
Synthesis, chiral crystal structure, and magnetic properties of Ba3Ga2O5Cl2	2
The varying temperature- and pressure-induced phase transition pathways in hybrid improper ferroelectric Sr3Sn2O7	2
A recapitulation of magnetic space groups and their UNI symbols	2
Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C32H24Cl2N8O2	2
Magnetic space groups versus representation analysis in the investigation of magnetic structures: the happy end of a strained relationship	2
Structural and computational studies of new Schiff base ligands derived from 2-(methylamino)- and 2-(ethylamino)benzaldehyde: synthesis, characterization, QTAIM, NCI plot, TD-DFT and energy decomposit	2
Determining magnetic structures in GSAS-II using the Bilbao Crystallographic Server tool k-SUBGROUPSMAG	2
1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid	2
Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupledL-phenylalaninate	2
Synthesis and properties of Sr2La2NiW2O12, a new S = 1 triangular lattice magnet	2
In data we trust: X-ray diffraction experiments for charge density investigations	2
Rearrangements in the multiverse	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
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
Competition of interactions and a new high-temperature phase of selenourea	2
Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-ΔPDFs) of yttria-stabilized zirconia	2
Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors	2
Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester	2
Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure	2
Synthesis, crystal structure and phase transitions of novel hybrid perovskite: bis(1,2-diaminopropane) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride	2
A short note on the use of irreducible representations for tilted octahedra in perovskites	2
Structure correlation and dynamics in crystals – a tribute to Hans-Beat Bürgi	2
Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH3(CH2)2NH3]2[Z	2
Preparation and crystallographic characterization of 1H-tetrazole/NaClO4 energetic cocrystal	2
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2]	2
Hans-Beat Bürgi in Strasbourg – the story of an encounter	2
Effect of the transition metal on the structure and order–disorder phase transition in layered hybrid metal halides (CH3CH2NH3)2[MCl4] (	2
Magnetic structures in R 5Pt2In4 (R = Tb–Tm) investigated by neutron powder diffraction	2
Structural studies of hydrated rare earth nitrates within the stereoatomic model of crystal structures	2
Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands	2
Effect of synchrotron X-ray radiation damage on phase transitions in coordination polymers at high pressure	2
Magnetoelastic effect in R 5 Pt 2 In 4	2
π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis	2
New insights into the magnetism and magnetic structure of LuCrO3 perovskite	2
Exploring new belousovite-related zinc and cadmium alkali sulfate halides: synthesis and structural variability	2
Engineering the band gap and optical properties of a two-dimensional molybdenum carbon fluoride MXene	2
Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate	2
Structural changes in Rochelle salt on phase transitions revisited in a multi-temperature single-crystal X-ray diffraction study	2
The bond valence model as a prospective approach: examination of the crystal structures of copper chalcogenides with Cu bond valence excess	2
Incommensurate magnetic structure of CrAs at low temperatures and high pressures	2
Structural and magnetic properties of Y3(GaAlFe)5O12 liquid-phase epitaxy films with low ferromagnetic resonance losses	2
A fresh view on the structure and twinning of owyheeite, a rod-polytype and twofold superstructure	1
An approach to investigate the crystallographic unit cell of human tooth enamel	1
Search for missing symmetry in the Inorganic Crystal Structure Database (ICSD)	1
Disorder- and magnetism-driven structural changes in Sm2Mn1–x Ga6–y Ge y	1
A modulated structure derived from the XA-type Mn2RuSn Heusler compound	1
New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations	1
Magnetic structure determination and refinement using FullProf	1
Ring formation of transition metal trichalcogenide TaSe3 using vapor liquid process	1
Importance of powder diffraction raw data archival in a curated database for materials science applications	1
Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives	1
Unravelling the complexity of co-existing phases in piezoelectrics	1
Evolution of microstructure and crystallographic texture throughout the rolling process of AA3104	1
A first-order phase transition in Blatter's radical at high pressure	1

Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate	1
Comment on the article Properties and interactions – melting point of tribromobenzene isomers	1
A new crystal phase of calcium stannate CaSn2O4(OH)2 and its physico-chemical properties	1
Arsenic(III) oxide intercalate with ammonium chloride: crystal structure revision and thermal characterization	1
Powder X-ray diffraction as a powerful tool to exploit in organic electronics: shedding light on the first N,N′,N′′-trialkyldiindolocarbazole	1
Multidisciplinary study of thorium mobility: formation of turkestanite and steacyite analogues, and structural insights using an XRD-directed microcrystal preparation technique	1
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid	1
Analysis of magnetic structures in JANA2020	1
Obtaining diffuse scattering patterns from computer simulations – a retrospective	1
Tailoring the dimensionality of metal complexes via ligand modifications	1
A photoinert member of a photosensitive family. Structural studies of cobalt(III) nitropentammine malonate, [Co(NH3)5NO2]C3H2O4, under	1
Solid-state versatility in tranexamic acid drug: structural and thermal behavior of new salts and cocrystals	1
Incommensurate structures and radiation damage in Rb2V3O8 and K2V3O8 mixed-valence vanadate fresnoites	1
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group. Corrigendum	1
Introduction to the magnetic structures special issue	1
Dynamic simulation of orientational disorder in organic crystals: methyl groups, trifluoromethyl groups and whole molecules	1
A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties	1
Structural transitions and mechanical properties of Zr2C under ambient and high-pressure conditions	1
Mesocrystalline structure and mechanical properties of biogenic calcite from sea urchin spine	1
Structures of hexamethyl-[1,1′-biphenyl]-4,4′-diammonium salts	1
Structural and theoretical studies of amantadinium fenamates	1
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients	1
Structural and magnetic phase transitions in Eu 1– x La	1
Order–disorder (OD) polytypism of K3FeTe2O8(OH)2(H2O)1+x	1
Pyrite contact twins	1
Non-crystallographic helices in polymers and close-packed metallic crystals determined by the four-dimensional counterpart of the icosahedron	1
Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals	1
Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material	1