Acta Cryst B
@ActaCrystB
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Acta Crystallographica Section B is a leading structural science journal published by the IUCr. Impact factor (2021): 2.7
Chester, England
Joined May 2012
☀️ Start your summer with our #June24 issue! Featuring a dual-detection fluorescent sensor, Eu@nZCP with a 2-fold interpenetrated framework ideal for incorporating luminescent guests for sensing applications. 🔗 https://t.co/n2mGSH8dLa More from the issue below🧵👇
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Polina P. Kalinina et al.: A photoinert member of a photosensitive family. Structural studies of cobalt(III) nitropentammine malonate, [Co(NH3)5NO2]C3H2O4, under variable temperat... #IUCr
journals.iucr.org
A new salt, [Co(NH3)5NO2]C3H2O4, was synthesized and studied on cooling and under hydrostatic compression in relation to its photoinertness.
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I'll be attending the European Crystallographic Meeting (@35ECM2025) in Poznan, Poland next week. Please stop by the @IUCr booth if you would like to chat about publishing your work related to structural science, crystal engineering, and materials in @ActaCrystB!
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Excited to announce Prof. Nan Zhang @XJTU1896 is joining @ActaCrystB as a co-editor! Known for her insightful work in scXRD investigation of materials and correlated disorders in perovskites, prof. Zhang is ready to support your submissions!!
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Zbigniew Czapla et al.: Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH3(CH2)2NH3]2[ZnBr4]Br2 #PhaseTransition #CrystalStructure ... #IUCr
journals.iucr.org
A unique phase transition, twinning and ferroelastic domain structure in [NH3(CH2)2NH3]2[ZnBr4]Br2 is found. The new additional domain structure is observed at the phase transition on heating, which...
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Mami Isobe et al.: Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates #Diarylethene #VaporPhaseCrystalGrowth #HollowCrystal ... #IUCr
journals.iucr.org
1,2-Bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene formed its own spherulites by sublimation onto the hydrophilic surfaces of the (0001) planes of α-quartz and sapphire substrates. The format...
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Berthold Stöger et al.: The incommensurate composite YxOs4B4 (x = 1.161) #Borides #SupraconductingAlloys #IncommensurateComposites @tuvienna... #IUCr
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Fiza Aziz et al.: Crystal structure of nickel orthovanadate (Ni3V2O8) at 299 (3) K and 1323 (8) K: an X-ray diffraction study #XRayDiffraction #MetalOrthovanadates #CrystalStructure ... #IUCr
journals.iucr.org
The structure of Ni3V2O8 was studied using X-ray diffraction at temperatures of 299 and 1323 K. No phase transition at high temperature is observed. The variation in V—O bond length is small as...
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Keishiro Yamashita et al.: Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure @UTokyo_News @UTokyo_News @UniInnsbruck @UTokyo_News... #IUCr
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John M. Attah-Baah et al.: Spin reorientation and the interplay of magnetic sublattices in Er2CuMnMn4O12 #ColumnarPerovskites #Ferrimagnetism #SpinReorientation ... #IUCr
journals.iucr.org
We show that the interplay of multiple magnetic sublattices in Er2CuMnMn4O12 leads to four magnetic phase transitions characterized by the onset of ferrimagnetic order, spin-reorientation, spin...
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Lily M. Hunnisett et al.: The seventh blind test of crystal structure prediction: structure ranking methods @studentsncl @uniovi_info @UniKarlova @uniofreading @ucl @lborouniversity @UniofOxford @Dalnews @vscht... #IUCr
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Lily M. Hunnisett et al.: The seventh blind test of crystal structure prediction: structure generation methods @UF @fu_berlin @USinKatowice @TohokuUniPR @yamanashi_univ @HydUniv @Udelaware @Toyohashi_Tech @osaka_univ_e... #IUCr
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R. Alex Mayo et al.: Assessment of the exchange-hole dipole moment dispersion correction for the energy ranking stage of the seventh crystal structure prediction blind test #LondonDispersion @Dalnews @uniovi_info... #IUCr
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Chan and Tuckerman: Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles #CrystalStructurePredictionCSP @curtinuni... #IUCr
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G. J. O. Beran et al.: Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction #CrystalStructurePrediction #BlindTest #ConformationalPolymorphs ... #IUCr
journals.iucr.org
The conformational energies and crystal energy landscapes for molecules XXXI and XXXII from the seventh blind test of crystal structure prediction are investigated with a variety of electronic...
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Jacco van de Streek et al.: From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor®) #Atorvastatin #XRPD #DFT @illinoistech... #IUCr
journals.iucr.org
The crystal structure of calcium atorvastatin trihydrate was redetermined from previously published synchrotron powder diffraction data to give a much-improved agreement with two independent densit...
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A. A. Gaydamaka et al.: Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate #HighPressure #IncommensurateModulatedPhase #Crystallography ... #IUCr
journals.iucr.org
Incommensurate phase of potassium guaninate monohydrate is the first example of a modulation in purine derivatives and of a high-pressure incommensurate crystal structure to be solved for an organic...
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Amit Mondal et al.: Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7 #ZnRichPhases #ComplexIntermetallics #HighTemperatureSynthesis @IITKgp... #IUCr
journals.iucr.org
A detailed structural characterization of the δ1-MnZn9.7 phase is presented.
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J. M. Cadogan et al.: The magnetic structure and spin-reorientation of ErGa #RareEarthIntermetallics #MagneticStructures #NeutronDiffraction ... #IUCr
journals.iucr.org
The magnetic structure of the intermetallic compound ErGa as a function of temperature has been determined using a combination of high-resolution neutron powder diffraction and 166Er Mössbauer...
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Stuart Calder et al.: Low-dimensional metal–organic frameworks: a pathway to design, explore and tune magnetic structures #Magnetism #MetalOrganicFrameworks #NeutronDiffraction @UTKnoxville... #IUCr
journals.iucr.org
Magnetic metal–organic frameworks are candidate materials for investigating two-dimensional phenomena. The magnetic structures of deuterated formate Co(DCOO)2·2D2O has been studied by neutron powder...
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