Juan Manuel Perez-Mato,Branton J Campbell,Vasile O Garlea
Juan Manuel Perez-Mato
The virtual special issue on Magnetic Structures is introduced. The articles included here were originally published in recent regular issues of Acta Crystallographica Section B. ...
Probing the local structure of Bi2O3 chemical derivatives: the neglected cation sublattice [0.03%]
探究Bi2O3化学衍生物的局部结构：被忽视的阳离子亚晶格
Sikhumbuzo M Masina,Gugulethu C Nkala,Kevin H Stone et al.
Sikhumbuzo M Masina et al.
High-resolution synchrotron X-ray diffraction data confirm the stabilization of the average structure at ambient temperatures as a defect fluorite structure in ternary and quaternary oxides of Bi2O3, where some Bi cations are replaced with ...
Prediction and analysis of symmetry-raising transitions in anilinium tetrafluoroborate [0.03%]
苯基乙铵四氟硼酸盐中的对称性突变及其预测和分析
Sam Y Thompson,Chloe A Fuller,Samuel J Page et al.
Sam Y Thompson et al.
We report the structural and dielectric characterization of anilinium tetrafluoroborate (AnBF4), a molecular crystal identified as a candidate for symmetry-raising phase transitions using the FERROSCOPE routine. Variable-temperature powder ...
A case for resonant X-ray Bragg diffraction by a collinear antiferromagnet Li2Ni3P4O14 [0.03%]
关于面心抗铁磁体Li₂Ni₃P₄O₁₄的共振X射线布拉格散射的案例分析
Stephen W Lovesey
Stephen W Lovesey
Magnetic axial and polar (Dirac) nickel multipoles contribute to resonant X-ray Bragg amplitudes in a symmetry-informed analysis of monoclinic Li2Ni3P4O14 presented for future diffraction experiments. Magnetic long-range order below a tempe...
The structures of mcgovernite and carlfrancisite reconsidered: static disorder or ordered defects and twinning? [0.03%]
麦戈维特矿和卡尔弗朗西斯矿结构再研究：静态无序或有序缺陷及双晶？
Charles Lake,Robert Von Dreele
Charles Lake
The minerals mcgovernite and carlfrancisite possess an extraordinary rhombohedral unit cell [mcgovernite: a = b = 8.206 Å and c = 204.118 Å, with the complex formula unit M2+19Zn3(OH)21(AsO3)(AsO4)3(SiO4)3 (M = Mn, Mg, Zn); carlfrancisite...
Unveiling the structure and interactions of silicene grown on MoS2: insights from hybrid molecular dynamics simulations [0.03%]
基于MoS2生长的硅烯结构和相互作用的机理：杂化分子动力学模拟的新见解
Alexandre Melhorance Barboza,Luis César Rodríguez Aliaga,Daiara Fernandes de Faria et al.
Alexandre Melhorance Barboza et al.
The interaction of silicene with MoS2 surfaces has an important role in determining many properties of these systems. However, the intricate nature of silicene-based systems presents significant challenges for both experimental and computat...
OD (order-disorder) interpretation and diffuse scattering analysis of an organic polytype with allotwin character: a detailed how-to [0.03%]
有机同素异形体的全孪晶特性：秩序无序解释和漫散射分析详细说明
David Fröschl,Nicolas Kratena,Berthold Stöger et al.
David Fröschl et al.
2,3-Dihydroxy-1,3,4-trimethyl-6-oxo-1,4-cyclohexadiene-1-carboxylic acid crystallizes in an order-disorder (OD) structure with a high stacking fault probability. The diffraction pattern features diffuse scattering and broad peaks, which can...
Crystal structure analysis of van der Waals layered phosphorus chalcogenide CuVP2S6 [0.03%]
铜钒二硫化磷化合物CuVP₂S₆的晶体结构分析
Nur Farhana Hasmuni,Daisuke Urushihara,Ryura Hayashi et al.
Nur Farhana Hasmuni et al.
The crystal structure of CuVP2S6 is investigated by transmission electron microscopy (TEM) and single-crystal X-ray diffraction. Cu, V and dimerized P2 are each octahedrally coordinated by S atoms. Each metal ion species forms a triangular ...
Structural and computational studies of new Schiff base ligands derived from 2-(methylamino)- and 2-(ethylamino)benzaldehyde: synthesis, characterization, QTAIM, NCI plot, TD-DFT and energy decomposition analysis [0.03%]
基于2-（甲氨基）和2-（乙氨基）苯甲醛的新型席夫碱配体的结构与计算研究：合成，表征，QTAIM，NCI图，TD-DFT及能量分解分析
Akbar Rostami-Vartooni,Reza Kia,Fereshteh Abbasi et al.
Akbar Rostami-Vartooni et al.
Three novel Schiff base ligands were synthesized through the condensation reaction of 2-(methylamino) or 2-(ethylamino)benzaldehyde with ethylenediamine and 4-nitro-1,2-phenylenediamine, respectively. The resulting Schiff bases were thoroug...
Magnetoelastic effect in R5Pt2In4 (R = Tb-Tm) investigated by neutron powder diffraction [0.03%]
利用中子粉末衍射研究R5Pt2In4(R= Tb-Tm)的磁致伸缩效应
Aleksandra Deptuch,Stanisław Baran,Lukas Keller et al.
Aleksandra Deptuch et al.
Thermal evolution of the unit-cell parameters a, b and c as well as the unit-cell volume V of R5Pt2In4 (R = Tb-Tm) is derived from the neutron powder diffraction data. For all investigated compounds, the above mentioned parameters show a no...