Structures of CsEuBr3 and its degradation product Cs2EuBr5.10H2O [0.03%]
CsEuBr3和它的降解产物Cs2EuBr5.10H2O的晶体结构
Helmut Ehrenberg,Hartmut Fuess,Sabine Hesse et al.
Helmut Ehrenberg et al.
CsEuBr(3), caesium europium tribromide, crystallizes in an orthorhombic perovskite-type structure with an a(-)a(-)c(+) octahedral tilting scheme (GdFeO(3) type). CsEuBr(3) is unstable in air and one of the degradation products was identifie...
Quantitative description of the tilt of distorted octahedra in ABX3 structures [0.03%]
ABX３结构中变形八面体倾斜的定量描述
Rafael Tamazyan,Sander van Smaalen
Rafael Tamazyan
A description of the tilt of octahedra in ABX(3) perovskite-related structures is proposed that can be used to extract the unique values for the tilt parameters varphi, theta and delta of ABX(3) structures with regular and distorted octahed...
Superspace description of the crystal structures of Ca(n)(Nb,Ti)nO3n + 2 (n = 5 and 6) [0.03%]
Ca(n)(Nb,Ti)nO3n + 2 (n = 5和6)晶体结构的超空间描述
Jonathan Guevarra,Andreas Schönleber,Sander van Smaalen et al.
Jonathan Guevarra et al.
The crystal structures of two members of the homologous series Ca(n)(Nb,Ti)(n)O(3n + 2), with n = 5 and 6, are presented within the superspace formalism. A common (3 + 1)-dimensional superspace model is used to describe the crystal structur...
Inferring planar disorder in close-packed structures via epsilon-machine spectral reconstruction theory: structure and intrinsic computation in zinc sulfide [0.03%]
基于epsilon机器谱重构理论推断密堆积结构中的二维无序性——以硫化锌为例
D P Varn,G S Canright,J P Crutchfield
D P Varn
We apply epsilon-machine spectral reconstruction theory to analyze structure and disorder in four previously published zinc sulfide diffraction spectra and contrast the results with the most common alternative theory, the fault model. In ea...
Thomas Malcherek,Jochen Schlüter
Thomas Malcherek
The title compound is a new mineral consisting of sheets made from edge-sharing Cu(OH)4Cl2 and Mg(OH)6 octahedra. The sheets are only weakly linked by O-H-Cl bridges, giving rise to perfect cleavage along (001) and to strong texture effects...
Structural study of four complexes of the M-N2S2 type derived from diethylphenylazothioformamide and the metals palladium, platinum, copper and nickel [0.03%]
由二乙基茋重氮硫甲酰胺衍生的四类M-N2S2型配合物的结构研究
Kim T Nielsen,Pernille Harris,Klaus Bechgaard et al.
Kim T Nielsen et al.
The four electron-transfer complexes trans-(di(N,N-diethyl-(2-phenyldiazenyl)thioformamide-kappaS,kappaN2))nickel, trans-(di(N,N-diethyl-(2-phenyldiazenyl)thioformamide-kappaS,kappaN2))copper, trans-(di(N,N-diethyl-(2-phenyldiazenyl)thiofor...
Determination of covalent bond orders and atomic valence indices using topological features of the experimental electron density [0.03%]
基于实验电子密度拓扑特征确定共价键级和原子价指数
Vladimir G Tsirelson,Ekaterina V Bartashevich,Adam I Stash et al.
Vladimir G Tsirelson et al.
We present an approach for the determination of covalent bond orders from the experimental electron density and its derivatives at the bond critical points. An application of this method to a series of organic compounds has shown that it pr...
James H Loehlin,Elizabeth L N Okasako
James H Loehlin
All simple structures with saturated hydrogen bonding (SHB) are classified into eight categories on the basis of the donor and acceptor numbers on the atoms at each end of the hydrogen bonds. Examples from the literature are included where ...
Halogen...halogen interactions in pressure-frozen ortho- and meta-dichlorobenzene isomers [0.03%]
卤素…卤素相互作用：压力冷冻的对氯苯和间氯苯异构体中的现象
Maciej Bujak,Kamil Dziubek,Andrzej Katrusiak
Maciej Bujak
Isomers 1,2-dichlorobenzene (o-DCB) and 1,3-dichlorobenzene (m-DCB) were high-pressure frozen in-situ in a Merrill-Bassett diamond-anvil cell and their structures determined at room temperature and at 0.18 (5) GPa for o-DCB, and 0.17 (5) GP...
Pitfalls of data mining: triclinic polymorph of 2,2-aziridinedicarboxamide revisited [0.03%]
数据挖掘的陷阱： revisit 2,2-氮丙啶二甲酸胺的斜方晶系多晶型体
Marcin Podsiadło,Kamil Dziubek,Andrzej Katrusiak
Marcin Podsiadło
Several procedures have been employed for validating structural models refined on poor quality single-crystal diffraction data. Analysis of intra- and intermolecular distances in the structures of 2,2-aziridinedicarboxamide polymorphs prove...