Acta Crystallographica Section B-Structural Science Crystal Engineerin

Article	Citations
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt 2 Cl 4 (NH	78
Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?	74
Phase formation of LiB 3 O 5 and other lithium borates in the multicomponent system NaF–B	44
EuPdSn 2 : magnetic structures in view of resonant X-ray Bragg diffraction	36
Zharchikhite, AlF(OH) 2 : a novel structure type related to α-PbO 2	24
One-dimensional diffuse scattering of 1,3-di( tert -butyl)cyclopentadienyl pentaphosphaferrocene modelled with closed-form expressions	12
Cs 4 Ca[Si 8 O 19 ]: a new mixed tetrahedral–oc	11
Effect of La doping on the structure and cycloidal spin ordering in multiferroic BiFeO 3	9
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb n	9
SARAh – web representational analysis	9
Synthesis and structural study of the partially disordered complex hexagonal phase δ 1 -MnZn 9.7	8
Random in-plane translational stacking faults in the van der Waals superlattice Ba 6 Nb 11 Se	8
Exploring the thermal behaviour of the solvated structures of nifedipine	8
New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite	8
Shifting and tilting towards enhanced piezoelectricity in high-temperature ceramics: an average structure study of (1 −  x )BiFe	7
The charge density and force-field view of bonding interactions in crystals with photomechanical properties: [Co(NH 3 ) 5	7
Synthesis and characterization of an organic–inorganic hybrid crystal: 2[Co(en) 3 ](V 4 O	7
Magnetic structure of the noncentrosymmetric magnet Sr 2 MnSi 2 O 7	7
Form (III) of artemisinin: discovery and crystallographic characterization of a new high-pressure polymorph	6
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe 3+ -doped single-crystal samples	6
Polymorphism of Pb 5 (PO 4 ) 3 OH	6
Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction	6
Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction	6
Structural and magnetic investigations of the Weyl semimetal family CeAlSi 1– x	6
Guidelines for communicating commensurate magnetic structures. A report of the International Union of Crystallography Commission on Magnetic Structures	6

Gladstone–Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with V 4+ O and V	6
Pushing crystallography's frontiers through quantum mechanics	6
Design and synthesis of diverse Cd 2+ /Zn 2+ /Cu 2+	5
The physical space model of the Tsai-type quasicrystal	5
Correlated disorder and crystal structure of β-VOSO 4	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
Incommensurate structure of AlPO 4 -5 and its stability	5
The seventh blind test highlights exciting developments in crystal structure prediction	5
Dehydration, polymorphism and ionic conductivity of sodium hypodiphosphates	5
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol	5
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl 6 ] under high pressure	5
A rare case of Na/Zn isomorphism in the crystal structure of non-centrosymmetric zincophosphate Na 5 Zn[Zn(PO 4	5
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N -phenylbenzamides	5
How much do molecular shapes matter?	5
Crystal structure solution and high-temperature thermal expansion in NaZr 2 (PO 4 )	5
Structural phase transitions, dehydration and decomposition of ammonium hypodiphosphates	5
Sodium dodecyl sulfate induced formation of a messy structure methane hydrate: a molecular dynamics simulation study	4
Hydrogen bonding patterns and C—H...π interactions in the structure of the antiparkinsonian drug ( R )-rasagiline mesylate determined using laboratory an	4
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II)	4
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study	4
Bromine versus chlorine substituent in breathing crystals of a copper(I) coordination compound with a triazolamine Schiff base	4
Density functional theory investigation of the phase transition, elastic and thermal characteristics for Au M Te 2	4
Three-dimensional electron diffraction on clinkers: the belite α′ H incommensurate modulated struc	4
Refinement of the crystal structure of fresnoite, Ba 2 TiSi 2 O 8	4
Effect of nano-SiC doping on the structure and superconducting properties of Mg(B1–x C x )2	4
Elastic and piezoelectric properties of β-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition	4
A comparison of the isostructural [Co(NH 3 ) 5 NO 2	4
Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates	4
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. Corrigendum	4
A linear/quadratic order parameter coupling description of the Verwey transition in magnetite, Fe 3 O 4	4
(Na,Li) 3 (Cl,OH)[Cu 3 OAl(PO 4 )	4
Current developments and trends in quantum crystallography	4
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group	4
Study on the vertical Bridgman method of melt-grown CsPbBr3 single crystals for nuclear radiation detection	3
Elastic and piezoelectric properties of ( R )-3-quinuclinidol under pressure: a quantum crystallography study	3
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional group	3
α- L -Tyrosine under high pressure: validation of phase transitions and a curious similarity with L	3
Ultrasound-assisted synthesis of a Eu 3+ -functionalized Zn II coordination polymer as a fluoresce	3
Crystallization induced by fungi and bacteria	3
Incommensurately modulated structures of the M 1/8 Pr 5/8 MoO	3
Concomitant polymorphs of 2-imino-2 H -chromene-3-carboxylic acid amide: experimental and quantum chemical study	3
Efficient modulation of a barium metal–organic framework using amino acids	3
Structure and properties of (Nd,Sr)(Al,Ta)O 3 (NSAT) substrate crystals	3
Computation screening for incorrectly determined cocrystal structures	3
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design	3
Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV10O28 5−)]0.4[(HGU+	3
The effect of hydrostatic compression on the crystal structure of glycinium phosphite	3
Polytypism of Ln(SeO 3 )(HSeO 3 )·2H 2 O compou	3
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K + ·C 5 H	3
Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles	3

From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor ®	3
Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals	3
The seventh blind test of crystal structure prediction: structure ranking methods	3
Structures of Ca 5 (VO 4 ) 3 Cl and Ca	3
Application of the method for visualization of noncovalent interactions in conformational polymorphs of four organic acids	3
Aurophilic interactions in a mixed-valent Au I/III 4-cyanothiazole complex	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	3
High-pressure and high-temperature polymorphism of Na 2 CO 3 up to 10 GPa	3
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S 2 O 3	3
Following the guidelines for communicating commensurate magnetic structures: real case examples	3
Learning from approximate periodic symmetry in organic P 1 structures	3
Determining magnetic structures in GSAS-II using the Bilbao Crystallographic Server tool k-SUBGROUPSMAG	2
Magnetic structures in R 5 Pt 2 In 4	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
Synthesis and properties of Sr 2 La 2 NiW 2 O	2
Structural studies of hydrated rare earth nitrates within the stereoatomic model of crystal structures	2
Introducing the special issue on current research in crystal growth and related characterization	2
Proton tautomerism in 5-dimethylaminomethylidene-4-( o -, m -, p	2
Deciphering unusually large modulations in two related organic hydroxy channel structures	2
Structure evolution and high-temperature luminescence versus negative thermal expansion of Ho,Tm-doped Yb 2 Mo 3	2
Structural and magnetic properties of Y 3 (GaAlFe) 5 O 12	2
Structural changes in Rochelle salt on phase transitions revisited in a multi-temperature single-crystal X-ray diffraction study	2
New insights into the magnetism and magnetic structure of LuCrO 3 perovskite	2
Magnetoelastic effect in R 5 Pt 2 In 4	2
In data we trust: X-ray diffraction experiments for charge density investigations	2
Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors	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
1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid	2
Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure	2
Predicting co-crystal structures of N -halide phthalimides with 3,5-dimethylpyridine	2
Structural and magnetic properties of β-Li 2 IrO 3 after grazing-angle focused ion beam thinning	2
Three polytypes of lapachol, a natural pigment with promising pharmacological properties	2
Competition of interactions and a new high-temperature phase of selenourea	2
Engineering the band gap and optical properties of a two-dimensional molybdenum carbon fluoride MXene	2
Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupled L -phenylalaninate	2
Magnetic space groups versus representation analysis in the investigation of magnetic structures: the happy end of a strained relationship	2
Preparation and crystallographic characterization of 1 H -tetrazole/NaClO 4 energetic cocrystal	2
The varying temperature- and pressure-induced phase transition pathways in hybrid improper ferroelectric Sr 3 Sn 2	2
Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate	2
Incommensurate magnetic structure of CrAs at low temperatures and high pressures	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
Computational analysis tools for magnetic structures in the Bilbao Crystallographic Server	2
Effect of the transition metal on the structure and order–disorder phase transition in layered hybrid metal halides (CH 3 CH	2
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt 2 Cl 4 (NH	2
A short note on the use of irreducible representations for tilted octahedra in perovskites	2
Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH 3 (CH	2
Understanding and rationalizing the structure of ionic solids by computational application of Beck's extended coordination number rule	2
Tailoring the dimensionality of metal complexes via ligand modifications	1
Synthesis of g-C 3 N 4 /TiO 2 -based photocatal	1
Synthesis, crystal structure and phase transitions of novel hybrid perovskite: bis(1,2-diaminopropane) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride	1
Magnetic structure determination and refinement using FullProf	1
Disappearance of peculiarly large atomic displacement in the high-temperature phase of magnetite with substitution of Fe 2+ by Ni	1
Evolution of microstructure and crystallographic texture throughout the rolling process of AA3104	1
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques	1
Assessment of the exchange-hole dipole moment dispersion correction for the energy ranking stage of the seventh crystal structure prediction blind test	1
Unravelling superstructure and electronic ordering in LiNiO 2 bulk single crystals grown by optical floating zone technique	1
Thermal decomposition of ZnO 2 to ZnO: driven by peroxide bond rupture and shear-induced stacking faults	1
Modelling the structural evolution and polytypism of micas by tetrahedral transformation and polyhedral volumes	1
Crystal structure predictions for molecules with soft degrees of freedom using intermonomer force fields derived from first principles	1
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients	1
Maus's salts: an old family of iron sulfates with possible magnetic frustration	1
Structural insight into the cooperativity of spin crossover compounds	1
Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-ΔPDFs) of yttria-stabilized zirconia	1
A new crystal phase of calcium stannate CaSn 2 O 4 (OH) 2	1
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid	1
Investigating the impact of molybdenum content on the room-temperature optical properties of Li 2 WO 4	1
The Ammann–Kramer–Neri tiling model of a P-ZnMgEr Bergman-type quasicrystal based on in-house X-ray diffraction	1
Pyrite contact twins	1
Structures of hexamethyl-[1,1′-biphenyl]-4,4′-diammonium salts	1
Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands	1
Disorder- and magnetism-driven structural changes in Sm 2 Mn 1– x	1
New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations	1
Crystal growth, structure and infrared absorption of co-doped (Cr, Co, Fe):ZnSe single crystals	1
On the magnetic and crystal structures of NiO and MnO	1
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group. Corrigendum	1
Structural transitions and mechanical properties of Zr 2 C under ambient and high-pressure conditions	1
Incommensurate structures and radiation damage in Rb 2 V 3 O 8	1
Structural and theoretical studies of amantadinium fenamates	1
AB 2 X 4 spinel structures: similarity and differences between the centrosymmetric,	1
Floating zone growth of high-purity MgO substrate single crystals	1

Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives	1
Arsenic(III) oxide intercalate with ammonium chloride: crystal structure revision and thermal characterization	1
A photoinert member of a photosensitive family. Structural studies of cobalt(III) nitropentammine malonate, [Co(NH 3 ) 5	1
Solid-state versatility in tranexamic acid drug: structural and thermal behavior of new salts and cocrystals	1
Order–disorder (OD) polytypism of K3FeTe2O8(OH)2(H2O)1+x	1
Multidisciplinary study of thorium mobility: formation of turkestanite and steacyite analogues, and structural insights using an XRD-directed microcrystal preparation technique	1
A recapitulation of magnetic space groups and their UNI symbols	1
Search for missing symmetry in the Inorganic Crystal Structure Database (ICSD)	1
Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C 32 H	1
Non-crystallographic helices in polymers and close-packed metallic crystals determined by the four-dimensional counterpart of the icosahedron	1
High-pressure and low-temperature behaviour of organic ferroelectric ( R )-3-quinuclidinol	1
3D electron diffraction analysis of a novel, mechanochemically synthesized supramolecular organic framework based on tetrakis-4-(4-pyridyl)phenylmethane	1
A fresh view on the structure and twinning of owyheeite, a rod-polytype and twofold superstructure	1
Unravelling the complexity of co-existing phases in piezoelectrics	1
Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate	1
Ring formation of transition metal trichalcogenide TaSe 3 using vapor liquid process	1
An approach to investigate the crystallographic unit cell of human tooth enamel	1
Analysis of magnetic structures in JANA2020	1
Structural and magnetic phase transitions in Eu 1– x La	1
Introduction to the magnetic structures special issue	1
Importance of powder diffraction raw data archival in a curated database for materials science applications	1
Three polytypes of lapachol, a natural pigment with promising pharmacological properties. Corrigendum	1