Acta Crystallographica Section B-Structural Science Crystal Engineerin

Papers
(The TQCC of Acta Crystallographica Section B-Structural Science Crystal Engineerin is 3. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-06-01 to 2026-06-01.)
ArticleCitations
One-dimensional diffuse scattering of 1,3-di(tert-butyl)cyclopentadienyl pentaphosphaferrocene modelled with closed-form expressions70
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb n Bi4Te4S 66
Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?36
EuPdSn 2 : magnetic structures in view of resonant X-ray Bragg diffraction26
Zharchikhite, AlF(OH)2: a novel structure type related to α-PbO221
Cs4Ca[Si8O19]: a new mixed tetrahedral–octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates15
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt 2 Cl 4 (NH12
Effect of La doping on the structure and cycloidal spin ordering in multiferroic BiFeO310
Phase formation of LiB 3 O 5 and other lithium borates in the multicomponent system NaF–B 10
Magnetic structure of the noncentrosymmetric magnet Sr2MnSi2O7 through irreducible representation and magnetic space group analyses9
Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.79
Synthesis and characterization of an organic–inorganic hybrid crystal: 2[Co(en)3](V4O13)·4H2O9
SARAh – web representational analysis8
New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite8
The charge density and force-field view of bonding interactions in crystals with photomechanical properties: [Co(NH 3 ) 57
Structural and magnetic investigations of the Weyl semimetal family CeAlSi 1– x 7
Exploring the thermal behaviour of the solvated structures of nifedipine7
Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction7
Crystal structure solution and high-temperature thermal expansion in NaZr2(PO4)3-type materials7
Shifting and tilting towards enhanced piezoelectricity in high-temperature ceramics: an average structure study of (1 − x)BiFe2/8Ti3/8Mg3/8O3–x7
Gladstone–Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with V4+O and V4+O2 vanadyl groups7
Polymorphism of Pb5(PO4)3OHδ within the LK-99 mixture7
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol6
Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction6
Formation of contact and multiple cyclic cassiterite twins in SnO2-based ceramics co-doped with cobalt and niobium oxides6
Correlated disorder and crystal structure of β-VOSO46
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe 3+ -doped single-crystal samples6
Pushing crystallography's frontiers through quantum mechanics6
Form (III) of artemisinin: discovery and crystallographic characterization of a new high-pressure polymorph5
A rare case of Na/Zn isomorphism in the crystal structure of non-centrosymmetric zincophosphate Na 5 Zn[Zn(PO 4 5
Incommensurate structure of AlPO 4 -5 and its stability5
The physical space model of the Tsai-type quasicrystal5
Effect of pre-rolling aging treatment on evolutions of the microstructure and the texture of aluminium alloy 7005 subjected to heavy cold rolling5
Design and synthesis of diverse Cd2+/Zn2+/Cu2+ coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescen5
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl6] under high pressure5
How much do molecular shapes matter?5
Guidelines for communicating commensurate magnetic structures. A report of the International Union of Crystallography Commission on Magnetic Structures5
Structure stabilization effect of vacancies and entropy in hexagonal WN5
Structural phase transitions, dehydration and decomposition of ammonium hypodiphosphates5
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides5
Refinement of the crystal structure of fresnoite, Ba2TiSi2O8, from Löhley (Eifel district, Germany); Gladstone–Dale compatibility, electronic polarizability and vibrat4
Dehydration, polymorphism and ionic conductivity of sodium hypodiphosphates4
Density functional theory investigation of the phase transition, elastic and thermal characteristics for AuMTe2(M = Ga, In) chalcopyrite compounds4
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 dat4
Sodium dodecyl sulfate induced formation of a messy structure methane hydrate: a molecular dynamics simulation study4
Elastic and piezoelectric properties of β-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition4
Application of the method for visualization of noncovalent interactions in conformational polymorphs of four organic acids4
(Na,Li)3(Cl,OH)[Cu3OAl(PO4)3]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure4
Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates4
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group4
Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives4
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study4
Three-dimensional electron diffraction on clinkers: the belite α′ H incommensurate modulated structure4
The seventh blind test highlights exciting developments in crystal structure prediction4
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II)4
A linear/quadratic order parameter coupling description of the Verwey transition in magnetite, Fe3O44
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. Corrigendum4
Effect of nano-SiC doping on the structure and superconducting properties of Mg(B1–x C x )24
Resolving the structure of V3O7·H2O and Mo-substituted V3O7·H2O4
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S2O3·H2O versus 1-methylpiperazinediium·S2O3
Incommensurately modulated structures of the M 1/8 Pr 5/8 MoO 3
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design3
Structures of Ca5(VO4)3Cl and Ca4.78(1)Na0.22(PO4)3Cl0.78: positions of channel anions and repulsion on the anio3
Following the guidelines for communicating commensurate magnetic structures: real case examples3
Bromine versus chlorine substituent in breathing crystals of a copper(I) coordination compound with a triazolamine Schiff base3
Current developments and trends in quantum crystallography3
Ultrasound-assisted synthesis of a Eu3+-functionalized ZnII coordination polymer as a fluorescent dual detection probe for highly sensitive recognition of HgII and 3
Polytypism of Ln(SeO3)(HSeO3)·2H2O compounds: synthesis and crystal structure of the first monoclinic modification of Nd(SeO3)(HSeO3)·2H23
Elastic and piezoelectric properties of ( R )-3-quinuclinidol under pressure: a quantum crystallography study3
Efficient modulation of a barium metal–organic framework using amino acids3
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study3
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes3
The effect of hydrostatic compression on the crystal structure of glycinium phosphite3
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 978-0-193
Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV10O28 5−)]0.4[(HGU+3
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K+·C5H4N5O−·H2O3
Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles3
Crystallization induced by fungi and bacteria3
A comparison of the isostructural [Co(NH3)5NO2]XNO3 and [Co(NH3)5ONO]XNO3, X = Cl− or Br3
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