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	55
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb n Bi4Te4S	51
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	21
Circumventing a challenging aspect of crystal structure determination from powder diffraction data	18
Zharchikhite, AlF(OH)2: a novel structure type related to α-PbO2	18
Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?	16
EuPdSn 2 : 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
New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite	10
Exploring the thermal behaviour of the solvated structures of nifedipine	10
Shifting and tilting towards enhanced piezoelectricity in high-temperature ceramics: an average structure study of (1 − x)BiFe2/8Ti3/8Mg3/8O3–x	10
SARAh – web representational analysis	10
Gladstone–Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with V4+O and V4+O2 vanadyl groups	9
Polymorphism of Pb5(PO4)3OHδ within the LK-99 mixture	9
The charge density and force-field view of bonding interactions in crystals with photomechanical properties: [Co(NH 3 ) 5	9
Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction	8
Pushing crystallography's frontiers through quantum mechanics	8
Morphotropism in fumarolic mineral-related anhydrous sulfates: novel representatives in A + 2 M	8
Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction	8
Formation of contact and multiple cyclic cassiterite twins in SnO2-based ceramics co-doped with cobalt and niobium oxides	8
Correlated disorder and crystal structure of β-VOSO4	8

Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions	8
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol	8
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe 3+ -doped single-crystal samples	7
Guidelines for communicating commensurate magnetic structures. A report of the International Union of Crystallography Commission on Magnetic Structures	7
Crystal structure solution and high-temperature thermal expansion in NaZr2(PO4)3-type materials	6
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl6] under high pressure	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
Structure stabilization effect of vacancies and entropy in hexagonal WN	6
Structural phase transitions, dehydration and decomposition of ammonium hypodiphosphates	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
Density functional theory investigation of the phase transition, elastic and thermal characteristics for AuMTe2(M = Ga, In) chalcopyrite compounds	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
A rare case of Na/Zn isomorphism in the crystal structure of non-centrosymmetric zincophosphate Na 5 Zn[Zn(PO 4	5
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. Corrigendum	5
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II)	5
Refinement of the crystal structure of fresnoite, Ba2TiSi2O8, from Löhley (Eifel district, Germany); Gladstone–Dale compatibility, electronic polarizability and vibrat	5
How much do molecular shapes matter?	5
Response to comment on Properties and interactions – melting point of tribromobenzene isomers	5
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review	5
(Na,Li)3(Cl,OH)[Cu3OAl(PO4)3]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure	5
Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates	5
The seventh blind test highlights exciting developments in crystal structure prediction	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
A general method for searching for homometric structures	4
Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives	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
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes	4
A comparison of the isostructural [Co(NH3)5NO2]XNO3 and [Co(NH3)5ONO]XNO3, X = Cl− or Br	4
Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data	4
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S2O3·H2O versus 1-methylpiperazinediium·S2O	4
Crystallization induced by fungi and bacteria	4
Application of the method for visualization of noncovalent interactions in conformational polymorphs of four organic acids	4
Bromine versus chlorine substituent in breathing crystals of a copper(I) coordination compound with a triazolamine Schiff base	4
Effect of nano-SiC doping on the structure and superconducting properties of Mg(B1–x C x )2	4
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group	4
Compressibility of structural modulation waves in the chain compounds BaCoX 2O7 (X = As, P): a powder study	4
Current developments and trends in quantum crystallography	4
Efficient modulation of a barium metal–organic framework using amino acids	4
Fast crystal growth of amorphous nimesulide: implication of surface effects	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
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
A linear/quadratic order parameter coupling description of the Verwey transition in magnetite, Fe3O4	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
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study	4
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	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

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
Ultrasound-assisted synthesis of a Eu3+-functionalized ZnII coordination polymer as a fluorescent dual detection probe for highly sensitive recognition of HgII and	4
The effect of hydrostatic compression on the crystal structure of glycinium phosphite	4
The seventh blind test of crystal structure prediction: structure ranking methods	3
Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV10O28 5−)]0.4[(HGU+	3
From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor®)	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
Structural and magnetic properties of Y3(GaAlFe)5O12 liquid-phase epitaxy films with low ferromagnetic resonance losses	3
Bone hierarchical structure: spatial variation across length scales	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
Computational analysis tools for magnetic structures in the Bilbao Crystallographic Server	3
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study	3
Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles	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
Following the guidelines for communicating commensurate magnetic structures: real case examples	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
Study on the vertical Bridgman method of melt-grown CsPbBr3 single crystals for nuclear radiation detection	3
Learning from approximate periodic symmetry in organic P1 structures	3
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K+·C5H4N5O−·H2O	3
N-Iodosaccharin–pyridine co-crystal system under pressure: experimental evidence of reversible twinning	3
Solid-state multinuclear magnetic resonance and X-ray crystallographic investigation of the phosphorus...iodine halogen bond in a bis(dicyclohexylphenylphosphine)(1,6-diiodoperfluorohexane) cocrystal	3
Computation screening for incorrectly determined cocrystal structures	3
The bond valence model as a prospective approach: examination of the crystal structures of copper chalcogenides with Cu bond valence excess	3
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design	3
Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals	3
Synthesis, crystal structure and phase transitions of novel hybrid perovskite: bis(1,2-diaminopropane) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride	2
Pyrite contact twins	2
Synthesis and properties of Sr2La2NiW2O12, a new S = 1 triangular lattice magnet	2
Effect of synchrotron X-ray radiation damage on phase transitions in coordination polymers at high pressure	2
Exploring new belousovite-related zinc and cadmium alkali sulfate halides: synthesis and structural variability	2
Determining magnetic structures in GSAS-II using the Bilbao Crystallographic Server tool k-SUBGROUPSMAG	2
Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure	2
In data we trust: X-ray diffraction experiments for charge density investigations	2
Proton tautomerism in 5-dimethylaminomethylidene-4-( o -, m -, p	2
Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupledL-phenylalaninate	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
The varying temperature- and pressure-induced phase transition pathways in hybrid improper ferroelectric Sr3Sn2O7	2
Structure correlation and dynamics in crystals – a tribute to Hans-Beat Bürgi	2
Order–disorder (OD) polytypism of K3FeTe2O8(OH)2(H2O)1+x	2
Structural studies of hydrated rare earth nitrates within the stereoatomic model of crystal structures	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
A recapitulation of magnetic space groups and their UNI symbols	2
Magnetic structures in R 5Pt2In4 (R = Tb–Tm) investigated by neutron powder diffraction	2
Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands	2
1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid	2
Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester	2
Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors	2
New insights into the magnetism and magnetic structure of LuCrO3 perovskite	2
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2]	2
Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C32H24Cl2N8O2	2
Hans-Beat Bürgi in Strasbourg – the story of an encounter	2
Predicting co-crystal structures of N-halide phthalimides with 3,5-dimethylpyridine	2
Synthesis, chiral crystal structure, and magnetic properties of Ba3Ga2O5Cl2	2
Preparation and crystallographic characterization of 1H-tetrazole/NaClO4 energetic cocrystal	2
Importance of powder diffraction raw data archival in a curated database for materials science applications	2
Tailoring the dimensionality of metal complexes via ligand modifications	2
A short note on the use of irreducible representations for tilted octahedra in perovskites	2
Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-ΔPDFs) of yttria-stabilized zirconia	2
Competition of interactions and a new high-temperature phase of selenourea	2
Magnetoelastic effect in R 5 Pt 2 In 4	2
Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH3(CH2)2NH3]2[Z	2
Magnetic space groups versus representation analysis in the investigation of magnetic structures: the happy end of a strained relationship	2
Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate	2
Engineering the band gap and optical properties of a two-dimensional molybdenum carbon fluoride MXene	2
π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis	2
Incommensurate magnetic structure of CrAs at low temperatures and high pressures	2
Effect of the transition metal on the structure and order–disorder phase transition in layered hybrid metal halides (CH3CH2NH3)2[MCl4] (	2
Structural changes in Rochelle salt on phase transitions revisited in a multi-temperature single-crystal X-ray diffraction study	2
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid	2
Introduction to the magnetic structures special issue	1
A first-order phase transition in Blatter's radical at high pressure	1
Structural and magnetic phase transitions in Eu 1– x La	1
Analysis of magnetic structures in JANA2020	1
Arsenic(III) oxide intercalate with ammonium chloride: crystal structure revision and thermal characterization	1
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients	1
Phase transitions and (p–T–X) behaviour of centrosymmetric perovskites: modelling with transformed crystallographic data	1
A new crystal phase of calcium stannate CaSn2O4(OH)2 and its physico-chemical properties	1

Search for missing symmetry in the Inorganic Crystal Structure Database (ICSD)	1
Structural transitions and mechanical properties of Zr2C under ambient and high-pressure conditions	1
Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals	1
A photoinert member of a photosensitive family. Structural studies of cobalt(III) nitropentammine malonate, [Co(NH 3 ) 5	1
Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material	1
A modulated structure derived from the XA-type Mn2RuSn Heusler compound	1
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group. Corrigendum	1
Magnetic structure determination and refinement using FullProf	1
New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations	1
Obtaining diffuse scattering patterns from computer simulations – a retrospective	1
A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties	1
3D electron diffraction analysis of a novel, mechanochemically synthesized supramolecular organic framework based on tetrakis-4-(4-pyridyl)phenylmethane	1
Structures of hexamethyl-[1,1′-biphenyl]-4,4′-diammonium salts	1
Size–strain line-broadening analysis of anatase/brookite (TiO2)-based nanocomposites with carbon (C): XRPD and Raman spectroscopic analysis	1
Non-crystallographic helices in polymers and close-packed metallic crystals determined by the four-dimensional counterpart of the icosahedron	1
A fresh view on the structure and twinning of owyheeite, a rod-polytype and twofold superstructure	1
Multidisciplinary study of thorium mobility: formation of turkestanite and steacyite analogues, and structural insights using an XRD-directed microcrystal preparation technique	1
Incommensurate structures and radiation damage in Rb2V3O8 and K2V3O8 mixed-valence vanadate fresnoites	1
Mesocrystalline structure and mechanical properties of biogenic calcite from sea urchin spine	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
Dynamic simulation of orientational disorder in organic crystals: methyl groups, trifluoromethyl groups and whole molecules	1
Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives	1
Disorder- and magnetism-driven structural changes in Sm2Mn1–x Ga6–y Ge y	1
Evolution of microstructure and crystallographic texture throughout the rolling process of AA3104	1
Powder X-ray diffraction as a powerful tool to exploit in organic electronics: shedding light on the first N,N′,N′′-trialkyldiindolocarbazole	1
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate	1
Solid-state versatility in tranexamic acid drug: structural and thermal behavior of new salts and cocrystals	1
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques	1
Unravelling the complexity of co-existing phases in piezoelectrics	1
Crystal structure predictions for molecules with soft degrees of freedom using intermonomer force fields derived from first principles	1
Structural and theoretical studies of amantadinium fenamates	1
Polymorphic transition due to grinding: the case of 3-[1-(tert-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid	1
Ring formation of transition metal trichalcogenide TaSe3 using vapor liquid process	1
An approach to investigate the crystallographic unit cell of human tooth enamel	1