Crystal architecture of R(2)SnS(5) (R = Pr, Nd, Gd and Tb): crystal structure relationships in chalcogenides [0.03%]
R(2)SnS(5) (R = Pr, Nd, Gd和Tb)的晶体结构：硫属化合物中的晶体结构关系
Marek Daszkiewicz,Lubomir D Gulay,Vasylyna Ya Shemet
Marek Daszkiewicz
The crystal structure of the R(2)SnS(5) (R = Pr, Nd, Gd and Tb) compounds has been investigated using X-ray single-crystal diffraction. Crystal architecture and structural relationships among U(3)S(5), Y(2)HfS(5), R(2)SnS(5) compounds are d...
KSm(MoO(4))(2), an incommensurately modulated and partially disordered scheelite-like structure [0.03%]
KSm(MoO_4)_2：一种不相称的调制和部分无序的白铅矿型结构
Alla Arakcheeva,Philip Pattison,Gervais Chapuis et al.
Alla Arakcheeva et al.
The incommensurately modulated scheelite-like KSm(MoO(4))(2) structure has been refined in the monoclinic superspace group I2/b(alphabeta0)00 by the Rietveld method on the basis of synchrotron radiation powder diffraction data. The systemat...
Structures of 6H perovskites Ba(3)CaSb(2)O(9) and Ba(3)SrSb(2)O(9) determined by synchrotron X-ray diffraction, neutron powder diffraction and ab initio calculations [0.03%]
基于同步辐射X射线和中子粉晶衍射以及从头算研究的6H钙钛矿型Ba₃CaSb₂O₉和Ba₃SrSb₂O₉结构
Budwy Rowda,Maxim Avdeev,Peter L Lee et al.
Budwy Rowda et al.
The structures of the 6H perovskites Ba(3)B(2+)Sb(5+)(2)O(9), B = Ca and Sr, have been solved and refined using synchrotron X-ray and neutron powder diffraction data. Ba(3)CaSb(2)O(9) and Ba(3)SrSb(2)O(9) have monoclinic C2/c and triclinic ...
Disordered misfit [Ca(2)CoO(3)][CoO(2)](1.62) structure revisited via a new intrinsic modulation [0.03%]
通过新的内在调制重新研究无序错配[Ca(2)CoO(3)][CoO(2)](1.62)结构
Hervé Muguerra,Dominique Grebille,Françoise Bourée
Hervé Muguerra
The structure of the thermoelectric lamellar misfit cobalt oxide [Ca(2)CoO(3)][CoO(2)](1.62) was refined again using single-crystal X-ray diffraction data. A new commensurate intrinsic modulation was observed involving a modulation vector o...
Patrick H J Mercier,Yvon Le Page
Patrick H J Mercier
The well known 36 distinguishable transformations between adjacent kaolin layers are split into 20 energetically distinguishable transformations (EDT) and 16 enantiomorphic transformations, hereafter denoted EDT*. For infinitesimal energy c...
Predicting regularities in lattice constants of GdFeO3-type perovskites [0.03%]
GdFeO3型钙钛矿晶格常数的规律性预测
Asifullah Khan,Syed Gibran Javed
Asifullah Khan
A novel idea of employing genetic programming to obtain mathematical expressions representing the dependency of lattice constants (LC) on their atomic parameters is presented in this paper. The results obtained from simulations reveal that ...
J Klösener,D C Swenson,L W Robertson et al.
J Klösener et al.
It is our hypothesis that fluoro substitution provides a powerful tool to modulate the desired characteristics and to increase the specificity of studies of structure-activity relationships. 4-Bromodiphenyl ether (PBDE 3) and its five corre...
Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data [0.03%]
基于粉晶中子和X射线衍射数据的联合精修揭示氯噻嗪和氢氯噻嗪的精确分子结构
Charlotte K Leech,Francesca P A Fabbiani,Kenneth Shankland et al.
Charlotte K Leech et al.
The compounds chlorothiazide and hydrochlorothiazide (crystalline form II) have been studied in their fully hydrogenous forms by powder neutron diffraction on the GEM diffractometer. The results of joint Rietveld refinement of the structure...
Patterns of hydrogen bonding in mono- and di-substituted N-arylpyrazinecarboxamides [0.03%]
单取代和双取代N-芳基吡唑甲酰胺中的氢键模式
Solange M S V Wardell,Marcus V N de Souza,Thatyana R A Vasconcelos et al.
Solange M S V Wardell et al.
The molecular and supramolecular structures of 18 N-arylpyrazinecarboxamides, Ar NHCO(C(4)H(3)N(2)), have been determined, including the stoichiometric monohydrate of N-(3-methoxyphenyl)pyrazinecarboxamide, and two polymorphs of N-(4-fluoro...
Structural comparisons of isomeric series of 7-aryl-benzo[h]pyrazolo[3,4-b]quinolines and 11-aryl-benzo[f]pyrazolo[3,4-b]quinolines [0.03%]
7-芳基-苯并吡唑并喹啉和11-芳基-苯并吡唑并喹啉异构体系列的结构比较
Jaime Portilla,Jairo Quiroga,Manuel Nogueras et al.
Jaime Portilla et al.
The structures of three new 7-aryl-benzo[h]pyrazolo[3,4-b]quinolines, 8-methyl-7-(4-chlorophenyl)-10-phenyl-6,10-dihydro-5H-benzo[h]pyrazolo[3,4-b]quinoline, C(27)H(20)ClN(3), 8-methyl-7-(3-pyridinyl)-10-phenyl-6,10-dihydro-5H-benzo[b]pyraz...