Equilibrium langbeinite-related phosphates Cs1 + xLnxZr2 - x(PO4)3 (Ln = Sm-Lu) in the melted systems Cs2O-P2O5-LnF3-ZrF4 [0.03%]
熔融体系Cs2O-P2O5-LnF3-ZrF4中形成正交相兰伯金石结构系列磷酸盐Cs1+xCexZr2-x(PO4)3(x=0-2，Ln=Sm-Lu)
Ivan V Ogorodnyk,Vyacheslav N Baumer,Igor V Zatovsky et al.
Ivan V Ogorodnyk et al.
Nine novel phosphates, based upon a combination of caesium, zirconium and lanthanide ions, were obtained from fluoride-containing fluxes using high-temperature crystallization. The structures of Cs(1.80)Eu(0.80)Zr(1.20)(PO(4))(3) (CsEuZrP),...
Structural stability and formability of ABO3-type perovskite compounds [0.03%]
ABO3型钙钛矿化合物的结构稳定性和成形性
Huan Zhang,Na Li,Keyan Li et al.
Huan Zhang et al.
On the basis of the bond-valence model (BVM) and structure-map technology, the structural stability and formability of ABO(3)-type perovskite compounds were investigated in 376 ABO(3)-type compounds. A new criterion of structural stability ...
Structure determination of Mg3(OH)5Cl.4H2O (F5 phase) from laboratory powder diffraction data and its impact on the analysis of problematic magnesia floors [0.03%]
基于实验室粉末衍射数据测定Mg₃(OH)₅Cl·4H₂O(F₅相)的结构及其对镁质 flooring问题分析的影响
Kunihisa Sugimoto,Robert E Dinnebier,Thomas Schlecht
Kunihisa Sugimoto
The crystal structure with the idealized formula Mg(3)(OH)(5)Cl.4H(2)O, the so-called F5 phase according to 5Mg(OH)(2).MgCl(2).8H(2)O in the system MgCl(2)-MgO-H(2)O, has been solved ab initio from high-quality laboratory powder diffraction...
Three-dimensional hydrogen-bonded frameworks in organic crystals: a topological study [0.03%]
有机晶体中三维氢键网络的拓扑学研究
Igor A Baburin,Vladislav A Blatov
Igor A Baburin
1551 homomolecular single hydrogen-bonded frameworks in organic crystals have been classified into 148 topological types of three-periodic nets. Different representations of hydrogen-bonded frameworks as nets of molecular centroids, edge or...
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing [0.03%]
四溴异硫酚和四溴异硒酚的结构：杂原子对杂环堆积的影响
Robert B Helmholdt,Ed J Sonneveld,Christophe M L Vande Velde et al.
Robert B Helmholdt et al.
The crystal structures of C(4)Br(4)S and C(4)Br(4)Se have been determined from X-ray powder diffraction data, using direct-space search techniques. In the case of C(4)Br(4)S two crystalline phases occur, a stable orthorhombic and a metastab...
Knowledge-based model of hydrogen-bonding propensity in organic crystals [0.03%]
基于知识的氢键取向性的模型在有机晶体中的应用
Peter T A Galek,László Fábián,W D Samuel Motherwell et al.
Peter T A Galek et al.
A new method is presented to predict which donors and acceptors form hydrogen bonds in a crystal structure, based on the statistical analysis of hydrogen bonds in the Cambridge Structural Database (CSD). The method is named the logit hydrog...
Experimental charge density of L-alanyl-L-prolyl-L-alanine hydrate: classical multipole and invariom approach, analysis of intra- and intermolecular topological properties [0.03%]
L-丙氨酰-L-脯氨酰-L-氨基三酸水合物的实验电荷密度：经典多重极化和不变量方法及分子内和分子间拓扑性质分析
Roman Kalinowski,Birger Dittrich,Christian B Hübschle et al.
Roman Kalinowski et al.
A high-resolution dataset of the tripeptide L-alanyl-L-prolyl-L-alanine hydrate was measured at 100 K using synchrotron radiation and CCD area detection. Electron densities were obtained from a full multipole refinement of the X-ray experim...
Asymmetric hydrogen bonds in a centrosymmetric environment. III. Quantum mechanical calculations of the potential-energy surfaces for the very short hydrogen bonds in potassium hydrogen dichloromaleate [0.03%]
中心对称环境中分子间的非对称氢键的量子化学计算研究．第三部分：钾双氯柠檬酸氢盐中极短氢键势能面的量子力学计算
I Majerz,I Olovsson
I Majerz
In the crystal structure of potassium hydrogen dichloromaleate there are two short hydrogen bonds of 2.44 A. The 'heavy-atom' structure is centrosymmetric (space group P1) with centers of symmetry in the middle of the O-O bonds, suggesting ...
Synthesis, characterization and phase transitions in the inorganic-organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4], n = 4, 5 and 6 [0.03%]
合成，表征及相变研究低维混合钙钛矿[(CnH2n+1NH3)2PbI4] (n=4, 5和6)中的原胞内有机-无机组分之间的相互作用
David G Billing,Andreas Lemmerer
David G Billing
Three inorganic-organic layered perovskite-type hybrids of the general formula [(C(n)H(2n+1)NH(3))(2)PbI(4)], n = 4, 5 and 6, display a number of reversible first-order phase transitions in the temperature range from 256 to 393 K. [(C(4)H(9...
Structure determination of structurally complex Ag36Li64 gamma-brass [0.03%]
复杂结构的Ag36Li64 γ-黄铜的结构测定
Tatsuo Noritake,Masakazu Aoki,Shin-ichi Towata et al.
Tatsuo Noritake et al.
The crystal structure of the Ag(36)Li(64) gamma-brass was determined by analyzing the powder diffraction pattern taken using a synchrotron radiation beam with wavelength 0.50226 A. It turned out that the compound contained 52 atoms in its u...