Paulina M Dominiak,Ángel Martín Pendás,Krzysztof Woźniak
Paulina M Dominiak
This editorial introduces the `Focus on Quantum Crystallography' collection, coinciding with the centenary of quantum mechanics and highlighting the convergence of crystallography and quantum theory. It outlines recent advances and applicat...
Malcolm J Cooper
Malcolm J Cooper
The IUCr's close association with quantum crystallography, rightly celebrated by this focused anniversary issue, has its origins in regular meetings of experimentalists and theoreticians interested in electron charge and spin density back i...
Decoding the bonding in Nd2Fe14B: a synchrotron charge density perspective on a rare-earth magnet [0.03%]
Nd2Fe14B稀土永磁的化学键研究——同步辐射实空间电荷密度探测视角
Yu Sheng Chen
Yu Sheng Chen
High-energy synchrotron X-ray diffraction reveals the bonding topology and charge distribution in Nd2Fe14B, clarifying the atomic-scale origins of its exceptional magnetic performance. The study by Vosegaard et al. [(2025). IUCrJ 12, https:...
`Mix-it-up': accessible time-resolved cryo-EM on the millisecond timescale [0.03%]
“混合搭配”：毫秒时间尺度下易于使用的冷冻电镜技术
Lauren Alexandrescu,William Lessin,Gabriel C Lander
Lauren Alexandrescu
Biological reactions often involve macromolecules that undergo substrate-induced conformational changes in under a second, yet capturing these transient states remains challenging. While high-resolution structural techniques such as X-ray c...
Protein electrostatic potential Fourier maps calculated using the transferable aspherical atom model and the independent atom model across resolutions [0.03%]
基于可转移非球形原子模型和独立原子模型的蛋白质静电势傅立叶图及其分辨率分析
Marta Kulik,Paulina Maria Dominiak
Marta Kulik
Common sense tells us that experimental maps of lower (worse) resolution obtained from cryogenic electron microscopy or three-dimensional electron diffraction convey less information than maps of higher (better) resolution. However, informa...
Testing the limits: serial crystallography using unpatterned fixed targets [0.03%]
检测极限：使用非图案化固定靶进行序列晶体学研究
Alexander Gorel,Robert L Shoeman,Elisabeth Hartmann et al.
Alexander Gorel et al.
Sheet-on-sheet (SOS) fixed-target chips are arguably the most versatile, cheapest and simplest sample-delivery method for ambient-temperature data acquisition using serial crystallography approaches at synchrotrons and X-ray free-electron l...
Unveiling the ambient-condition structure of Sr2FeIrO6: a triclinic phase through synchrotron-based X-ray techniques and high pressure [0.03%]
基于同步辐射的X射线技术在高压下研究Sr2FeIrO6的亚稳斜方晶体结构
Samuel Gallego-Parra,Hussien Helmy Hassan Osman,Virginia Monteseguro et al.
Samuel Gallego-Parra et al.
Double perovskites with the formula A2BB'O6, such as Sr2FeIrO6, are being explored as unique platforms for unveiling diverse structural, electronic and magnetic properties. Inclusion of 3d and 5d transition metals in the B and B' sites, as ...
New structural insights into Fe2P2O7 - unravelling an unresolved dispute and three reversible phase transitions [0.03%]
Fe2P2O7的新结构见解——解决一个未决争议及揭示三种可逆相变
Berthold Stöger,Matthias Weil,Robert Glaum et al.
Berthold Stöger et al.
The debate in the literature whether the triclinic room-temperature crystal structure of iron(II) pyrophosphate (Fe2P2O7) is centrosymmetric or not has been clearly resolved on the basis of new single-crystal X-ray intensity measurements. T...
X-ray electron density analysis of chemical bonding in permanent magnet Nd2Fe14B [0.03%]
Nd2Fe14B永久磁体的化学键X射线电子密度分析
Emilie Skytte Vosegaard,Jacob Svane,Bo Brummerstedt Iversen
Emilie Skytte Vosegaard
Chemical bonding determines the intrinsic properties of materials, but despite the super-strong metallic magnet Nd2Fe14B being a vital compound in modern life, the local chemical environment is not well understood. Nd2Fe14B has a very compl...
A survey of crystallographic quality metrics from CIFs in the Cambridge Structural Database [0.03%]
基于晶体学信息文件的剑桥结构数据库中的结晶质量指标综述
Clare A Tovee,Seth B Wiggin,Natalie T Johnson et al.
Clare A Tovee et al.
The Cambridge Structural Database (CSD) is a comprehensive repository of over 1.3 million unique crystallographic datasets, compiled from data deposited at the Cambridge Crystallographic Data Centre (CCDC). Given the vast size of this colle...