OOIR: Observatory of International Research

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 2021-12-01 to 2025-12-01.)

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_nBi₄Te₄S	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)Bu^t}₂], and Synthesis and s	19
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
EuPdSn₂: magnetic structures in view of resonant X-ray Bragg diffraction	15
Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?	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-MnZn_9.7	12
Synthesis and characterization of an organic–inorganic hybrid crystal: 2[Co(en)₃](V₄O₁₃)·4H₂O	11
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
Shifting and tilting towards enhanced piezoelectricity in high-temperature ceramics: an average structure study of (1 − x)BiFe_2/8Ti_3/8Mg_3/8O₃–x	10
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
Polymorphism of Pb₅(PO₄)₃OH_δ within the LK-99 mixture	9
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
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
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
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
Guidelines for communicating commensurate magnetic structures. A report of the International Union of Crystallography Commission on Magnetic Structures	6
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
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
Effect of nano-SiC doping on the structure and superconducting properties of Mg(B_1–xC_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 Au_1–xAg	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 Zn^II coordination polymer as a fluorescent dual detection probe for highly sensitive recognition of Hg^II 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
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
Learning from approximate periodic symmetry in organic P1 structures	3

Computational analysis tools for magnetic structures in the Bilbao Crystallographic Server	3
Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles	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
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
Bone hierarchical structure: spatial variation across length scales	3
Structures of Ca₅(VO₄)₃Cl and Ca_4.78(1)Na_0.22(PO₄)₃Cl_0.78: 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
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K⁺·C₅H₄N₅O⁻·H₂O	3
Computation screening for incorrectly determined cocrystal structures	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
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
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design	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
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study	3
Study on the vertical Bridgman method of melt-grown CsPbBr₃ single crystals for nuclear radiation detection	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