James Hester
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View article: Raw Data Letters - describing and publishing raw diffraction data in a FAIR way
Raw Data Letters - describing and publishing raw diffraction data in a FAIR way Open
IUCrData, the peer-reviewed open-access data publication from the International Union of Crystallography (IUCr), has launched a new section: Raw Data Letters as a collaborative innovation of IUCr Journals with the IUCr Committee on Data. F…
View article: Unveiling the Fluorination Pathway of Ruddlesden–Popper Oxyfluorides: A Comprehensive <i>In Situ</i> X-ray and Neutron Diffraction Study
Unveiling the Fluorination Pathway of Ruddlesden–Popper Oxyfluorides: A Comprehensive <i>In Situ</i> X-ray and Neutron Diffraction Study Open
Ruddlesden-Popper oxyfluorides exhibit unique properties, but their synthesis is often hindered by low thermodynamic stability. To overcome this challenge, understanding the formation mechanism of these materials is crucial for optimizing …
View article: Magnetic Structure and Phase Diagram of Ybco2; Specific Heat, Muon Spin Rotation and Relaxation and Neutron Diffraction Study
Magnetic Structure and Phase Diagram of Ybco2; Specific Heat, Muon Spin Rotation and Relaxation and Neutron Diffraction Study Open
View article: The evolution of raw data archiving and the growth of its importance in crystallography
The evolution of raw data archiving and the growth of its importance in crystallography Open
The hardware for data archiving has expanded capacities for digital storage enormously in the past decade or more. The IUCr evaluated the costs and benefits of this within an official working group which advised that raw data archiving wou…
View article: Magnetic order in holmium and erbium formate: Parent frameworks for a potential random spin chain paramagnet
Magnetic order in holmium and erbium formate: Parent frameworks for a potential random spin chain paramagnet Open
This work uses a combination of neutron diffraction and bulk property measurements to establish the low temperature magnetic states in the dense metal-organic frameworks Ho(HCO2)3 and Er(HCO2)3; whose structures feature chains of face-shar…
View article: The Evolution of Raw Data Archiving and the Growth of Its Importance in Crystallography
The Evolution of Raw Data Archiving and the Growth of Its Importance in Crystallography Open
The hardware for data archiving has expanded capacities for digital storage enormously in the past decade or more. This article charts the efforts of IUCr to facilitate discussions and plans relating to raw data archiving and reuse within …
View article: CSD 2206917: Experimental Crystal Structure Determination
CSD 2206917: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Dimer-Mediated Cooperative Mechanism of Ultrafast-Ion Conduction in Hexagonal Perovskite-Related Oxides
Dimer-Mediated Cooperative Mechanism of Ultrafast-Ion Conduction in Hexagonal Perovskite-Related Oxides Open
Oxide-ion and proton conductors have found diverse applications such as in electrolytes of solid-oxide, proton-conducting, and hybrid-ion fuel cells. Research of fuel cells with higher energy efficiency at lower operating temperature has s…
View article: Unveiling the magnetic structure and phase transition of Cr2CoAl using neutron diffraction
Unveiling the magnetic structure and phase transition of Cr2CoAl using neutron diffraction Open
We report the detailed analysis of temperature dependent neutron diffraction pattern of the Cr2CoAl inverse Heusler alloy and unveil the magnetic structure up to the phase transition as well as its fully compensated ferrimagnetic nature. T…
View article: Neutron diffraction studies under zero and finite magnetic fields of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:math> quantum magnetization plateau compound <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Ni</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">V</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>7</mml:mn></mml:msub></mml:mrow></mml:math>
Neutron diffraction studies under zero and finite magnetic fields of the quantum magnetization plateau compound Open
We performed powder neutron diffraction experiments on a 1/2 quantum magnetization plateau compound Ni2V2O7 for magnetic fields in the range 0-10 T. The incommensurate magnetic structu…
View article: Improved Oxide Ion Conductivity of Hexagonal Perovskite-Related Oxides Ba3W1+xV1−xO8.5+x/2
Improved Oxide Ion Conductivity of Hexagonal Perovskite-Related Oxides Ba3W1+xV1−xO8.5+x/2 Open
Hexagonal perovskite-related oxides such as Ba3WVO8.5 have attracted much attention due to their unique crystal structures and significant oxide ion conduction. However, the oxide ion conductivity of Ba3WVO8.5 is not very high. Herein, we …
View article: Unveiling the magnetic structure and phase transition of Cr$_2$CoAl using neutron diffraction
Unveiling the magnetic structure and phase transition of Cr$_2$CoAl using neutron diffraction Open
We report the detailed analysis of temperature dependent neutron diffraction pattern of the Cr$_2$CoAl inverse Heusler alloy and unveil the magnetic structure up to the phase transition as well as its fully compensated ferrimagnetic nature…
View article: High Proton Conductivity in β‐Ba<sub>2</sub>ScAlO<sub>5</sub> Enabled by Octahedral and Intrinsically Oxygen‐Deficient Layers
High Proton Conductivity in β‐Ba<sub>2</sub>ScAlO<sub>5</sub> Enabled by Octahedral and Intrinsically Oxygen‐Deficient Layers Open
Proton conductors are promising materials for clean energy, but most available materials exhibit sufficient conductivity only when chemically substituted to create oxygen vacancies, which often leads to difficulty in sample preparation and…
View article: Australian Synchrotron beamline calibration dataset from Rochelle salt
Australian Synchrotron beamline calibration dataset from Rochelle salt Open
This deposit contains single crystal data collected from Rochelle salt (potassium sodium tartrate) crystals at the Australian Synchrotron MX1 beamline in August 2010. Data were collected for instrument characterisation purposes and no stru…
View article: Australian Synchrotron beamline calibration dataset from Rochelle salt
Australian Synchrotron beamline calibration dataset from Rochelle salt Open
This deposit contains single crystal data collected from Rochelle salt (potassium sodium tartrate) crystals at the Australian Synchrotron MX1 beamline in August 2010. Data were collected for instrument characterisation purposes and no stru…
View article: CSD 2194500: Experimental Crystal Structure Determination
CSD 2194500: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2190634: Experimental Crystal Structure Determination
CSD 2190634: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: <i>IUCrData</i> launches Raw Data Letters
<i>IUCrData</i> launches Raw Data Letters Open
A new category of articles - Raw Data Letters - is introduced to IUCrData.
View article: Improved oxide-ion and lower proton conduction of hexagonal perovskite-related oxides based on Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub> by Cr<sup>6+</sup> doping
Improved oxide-ion and lower proton conduction of hexagonal perovskite-related oxides based on Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub> by Cr<sup>6+</sup> doping Open
Oxide-ion conductors based on hexagonal perovskite-related oxide Ba7Nb4MoO20 have attracted much attention due to high oxide-ion and proton conductivities and potential applications in many electrochemical devices such as solid oxide fuel …
View article: Preface
Preface Open
The Electronics Division Meeting of the Ceramic Society of Japan has been held annually in Japan since 1981.Due to the outbreak of the COVID-19, the 41st Electronics Division Meeting was held on November 4 and 5, 2021 via online.There were…
View article: Contents
Contents Open
Controlling the selectivity of solar O 2 /HClO production from seawater by simple surface modification of visible-light responsible photoelectrodes" Vol.130, No. 7, Solar energy conversion using semiconductor photoelectrode and seawater is…
View article: Reduced crystal symmetry as the origin of the ferroelectric polarization within the incommensurate magnetic phase of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>TbMn</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>5</mml:mn></mml:msub></mml:mrow></mml:math>
Reduced crystal symmetry as the origin of the ferroelectric polarization within the incommensurate magnetic phase of Open
The precise crystal symmetry and hence the emergence of the electric\npolarization still remains an open question in the multiferroic materials\n$R$Mn$_2$O$_5$ ($R$ = rare-earth, Bi, Y). While previous diffraction studies\nhave indicated t…
View article: Lerche: Generating data file processors in Julia from EBNF grammars
Lerche: Generating data file processors in Julia from EBNF grammars Open
In a scientific context, structured text is commonly encountered in data files and domainspecific languages (DSLs) for handling data.Extended Backhaus-Naur Format (EBNF) (ISO Central Secretary, 1996) is a well-established standard for desc…
View article: High-accuracy determination of photoelectric cross sections, X-ray absorption fine structure and nanostructure analysis of zinc selenide using the X-ray extended range technique
High-accuracy determination of photoelectric cross sections, X-ray absorption fine structure and nanostructure analysis of zinc selenide using the X-ray extended range technique Open
Measurements of mass attenuation coefficients and X-ray absorption fine structure (XAFS) of zinc selenide (ZnSe) are reported to accuracies typically better than 0.13%.The high accuracy of the results presented here is due to our successfu…
View article: Unconventional Magnetism in the Tetragonal RTi <sub>2</sub>Ga <sub>4</sub> (R = Dy, Ho and Er) Compounds
Unconventional Magnetism in the Tetragonal RTi <sub>2</sub>Ga <sub>4</sub> (R = Dy, Ho and Er) Compounds Open
View article: Unconventional Magnetism in the Tetragonal RTi <sub>2</sub>Ga <sub>4</sub> (R = Dy, Ho and Er) Compounds
Unconventional Magnetism in the Tetragonal RTi <sub>2</sub>Ga <sub>4</sub> (R = Dy, Ho and Er) Compounds Open
View article: Defect structure and property consequence when small <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msup><mml:mi>Li</mml:mi><mml:mo>+</mml:mo></mml:msup></mml:mrow></mml:math> ions meet <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>BaTi</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>
Defect structure and property consequence when small ions meet Open
In the present work the longstanding issue of the structure and dynamics of smaller ions in oxides and
\nits impact on the properties was investigated on 7% Li-doped BaTiO3. The investigation combined several
\ntechniques, notably neutron …
View article: Magnetic homogeneity in Fe-Mn co-doped NiO nanoparticles
Magnetic homogeneity in Fe-Mn co-doped NiO nanoparticles Open
The effect of Fe and Mn co-doping on the magnetic properties of the antiferromagnetic (AFM) NiO nanoparticles which offer large potential for different magnetic applications have been studied. The Rietveld refinement fitting of powder x-ra…
View article: CSD 2007945: Experimental Crystal Structure Determination
CSD 2007945: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Re-examining the crystal structure behaviour of nitrogen and methane
Re-examining the crystal structure behaviour of nitrogen and methane Open
In the light of NASA's New Horizons mission, the solid-phase behaviour of methane and nitrogen has been re-examined and the thermal expansion coefficients of both materials have been determined over their whole solid temperature range for …