نتایج جستجو برای: disordered atoms
تعداد نتایج: 87941 فیلتر نتایج به سال:
The title compound, [Sn(C(4)H(9))(3)(C(6)H(5)O(2)S)](n), possesses an infinite chain structure. The SnO(2)C(3) centre has a distorted trigonal-bipyramidal geometry (τ = 0.145) with the O atoms in the axial positions. Atoms of the thio-phene group S1 and C4 are disordered over two sites The S atom and one C atom, with attached H atom, of the thiophene ring are disordered over two positions; the ...
Atoms can form molecules if they attract each other. Here, we show that atoms are also able to bound states not due the attractive interaction but because of destructive interference. If potential changes in a disordered way with change distance between two atoms, Anderson localization lead formation exponentially localized states. While potentials do exist nature, be created laboratory by mean...
The title compound, Na(C2H10N2)[Co(C2O4)(C2H8N2)2]4[H5(P2W18O62)2]·14H2O, prepared under hydro-thermal conditions, consists of two Dawson-type [P2W18O62](6-) anions, four isolated [Co(en)2(ox)](+) cations (en = ethyl-enedi-amine and ox = oxalate), one Na(+) cation, one [H2en](2+) cation, and a number of ordered (14) and disordered solvent water mol-ecules. The [P2W18O62](6-) polyoxidometalate a...
The mol-ecule of the title compound, C(9)H(12)O(2), is approximately planar (mean atomic deviation = 0.0346 Å) and disposed about a crystallographic centre of symmetry. The H atom of the benzene ring is disordered over four orientations, with occupancies of 0.100 (3) and 0.401 (3) at the C atoms in the 2- and 3-positions and the same at their symmetric location. The H atoms of methyl group at t...
In the title compound, {[Nd(NO(3))(2)(C(6)H(18)N(3)OP)(4)][AgWS(4)]}(n), the central Nd atom of the monovalent cation is coordinated by eight O atoms from two nitrate and four hexa-methyl-phospho-ramide ligands. The monovalent anion, {[WS(4)Ag](-)}(n), forms a polymeric chain in a distorted linear configuration with W-Ag-W and Ag-W-Ag angles of 163.81 (3) and 154.786 (12)°, respectively. Thirte...
A mixture of light and heavy spin-polarized fermionic atoms in an optical lattice is considered. Tunneling of the heavy atoms is neglected such that they are only subject to thermal fluctuations. This results in a complex interplay between light and heavy atoms caused by quantum tunneling of the light atoms. The distribution of the heavy atoms is studied. It can be described by an Ising-like di...
We have investigated the segregation of Pt atoms to the surfaces of Pt-Re nanoparticles using the Monte Carlo method and modified embedded-atom method potentials that we have developed for Pt-Re alloys. The Pt(75)Re(25) nanoparticles (containing from 586 to 4,033 atoms) are assumed to have disordered fcc configurations and cubo-octahedral shapes (terminated by [111] and [100] facets), while the...
The crystal structure of the high-temperature paraelectric phase of Rochelle salt (K(+)·Na(+)·C4H4O6 (2-)·4H2O) at 308 K has been reinvestigated using synchrotron X-ray diffraction with refinement parameters R(int) = 0.0123, final (shift/e.s.d.)max = 0.019, R 1(all) = 0.0371 and wR 2(all) = 0.0608. The application of a new gas-flow sample cell designed to control both temperature and relative h...
Inelastic neutron scattering spectra were measured with a time-of-flight spectrometer on six disordered Cu-Au alloys at 300 K. The neutron-weighted phonon density of states was obtained from a conventional analysis of these spectra. Several methods were developed to account for this neutron weighting and obtain the phonon entropy of the disordered alloys. The phonon entropies of formation of di...
In the title complex, [U(C17H14BrN3O2S)O2(C2H5OH)], the U(VI) cation has a distorted penta-gonal-bipyramidal environment with the penta-gonal plane defined by two N and two O atoms of the tetra-dentate Schiff base ligand and the O atom of the ethanol mol-ecule. Two oxide O atoms occupy the axial positions. The azomethine C=N group and the Br atom are disordered over two positions in a 0.8356 (1...
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