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1Author    Eine Neutronenbeugungsuntersuchung, M. Wintenberger, F. Tcheou, J. David, J. LangRequires cookie*
 Title    Verfeinerung der Struktur des Nitrids MgSiN2 - A Refinement of the Structure of the Nitride MgSiN2 -a Study by Neutron Diffraction  
 Abstract    The tetrahedral wurtzite type structure of MgSiN2 has been refined with the help of neutron diffraction. The interatomic distances for Mg-N and Si-N are in complete agreement with the previously known values and the SiN4 tetrahedra in the structure are slightly deformed. 
  Reference    Z. Naturforsch. 35b, 604—606 (1980); eingegangen am 27. Dezember 1979 
  Published    1980 
  Keywords    Nitride, Tetrahedral Structure, Neutron Diffraction 
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 TEI-XML for    default:Reihe_B/35/ZNB-1980-35b-0604.pdf 
 Identifier    ZNB-1980-35b-0604 
 Volume    35 
2Author    R. Julian, C. Brown, MeganE. Shortreed, AndrewJ. Szabo, BrianM. Powell, StephenN. StuartRequires cookie*
 Title    NQR and Neutron Diffraction in Scheelites  
 Abstract    Measurements of the spin-lattice relaxation time for rhenium in KRe04 and NH4Re04 are reported; relaxation rates are extremely fast due to the large quadrupole moment of Re. Calculations of the electric field gradient in KRe04 show that the EFG is a very sensitive function of the orientation of the anion in the unit cell as well as of the unit cell dimensions, and that geometrical effects make a major contribution to the temperature dependence. Neutron diffraction in these two salts has been employed to determine the temperature dependence of structural parameters over a wide range of temperature, and preliminary results are reported. 
  Reference    Z. Naturforsch. 47a, 308—312 (1992); received August 4 1991 
  Published    1992 
  Keywords    NQR, Relaxation, Electric field gradient, Neutron diffraction 
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 TEI-XML for    default:Reihe_A/47/ZNA-1992-47a-0308.pdf 
 Identifier    ZNA-1992-47a-0308 
 Volume    47 
3Author    T. Yamaguchi, S. Tanaka, H. Wakita, M. Misawa1, I. Okada2, A. K. Soper3, W. S. Howells3Requires cookie*
 Abstract    u ls e d N e u tr o n D if fr a c tio n S tu d ie s o n L a n t h a n i d e (I I I) H y d r a tio n in A q u e o u s P e r c h lo r a te S o lu tio n s Dedicated to Dr. Karl Heinzinger on the occasion of his 60th birthday Pulsed neutron diffraction measurements are reported on 2 molar aqueous solutions of Pr3 + , Nd3 + , Tb3 + , Dy3 + , Tm3 + , and Yb3+ in D20 at room temperature. The first order difference technique on isomorphous ions is used to derive the metal ion pair correlation functions in these systems. The metal-oxygen and metal-deuterium distances and the hydration numbers are deter­ mined. The data indicate that the hydration number changes from ~ 10 for the lighter ions to ~8 for the heavier ones in the series. The water dipole is orientated on the average at an angle of 10 ~ 20 degrees to the metal-oxygen vector; these values are significantly smaller than those found for mono-and di-valent ions. The present results are compared with other results from neutron diffraction with isotope substitution, X-ray diffraction, and extended X-ray absorption fine structure. 
  Reference    Z. Naturforsch. 46a, 84—88 (1991); received August 1 1990 
  Published    1991 
  Keywords    Neutron diffraction, Lanthanide(IlI) ions, Ionic hydration Structure Electrolyte solutions 
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 TEI-XML for    default:Reihe_A/46/ZNA-1991-46a-0084.pdf 
 Identifier    ZNA-1991-46a-0084 
 Volume    46 
4Author    Uwe Hoppe, Rainer Kranold, Dörte Stachel, Andrea Barz, AlexC. HannonRequires cookie*
 Title    Variation in P-O Bonding in Phosphate Glasses -A Neutron Diffraction Study  
 Abstract    Two different lengths of P-0 bonds in the P0 4 units of phosphate glasses are found by neutron diffraction experiments of high resolution in real space. The two lengths are related to bonds of the phosphorus atom with the terminal and the bridging oxygen atoms. The mean lengths and widths of both P-0 distance peaks change as a function of the glass composition. In a large range, starting from vitreous P 2 O s up to the pyrophosphate composition, the behavior of the bond lengths is compared with that in the related crystals and with that resulting from ab initio calculations. The bond lengths depend not only on the species of the participating oxygen atoms and on the number of links of the concerning P0 4 unit but also on the number of links of the neighboring P0 4 unit and on the species of the modifier cation. 
  Reference    Z. Naturforsch. 55a, 369—380 (2000); received October 6 1998 
  Published    2000 
  Keywords    Neutron Diffraction, Short-range Order, Phosphate Glasses 
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 TEI-XML for    default:Reihe_A/55/ZNA-2000-55a-0369.pdf 
 Identifier    ZNA-2000-55a-0369 
 Volume    55 
5Author    P. P. Nath, S. Sarkar, P.S R Krishna3, R. N. JoarderRequires cookie*
 Title    Molecular Conformation and Structural Correlations of Liquid D-terf-Butanol at Room Temperature by Neutron Diffraction  
 Abstract    An analysis o f neutron diffraction data o f liquid deuterated terr-butanol at room temperature to determine its molecular conformation is presented. Being a big molecule o f 15 sites, the analysis is tricky and needs careful consideration. The resulting molecular parameters are compared with those obtained from other experimental data analysis and model calculations. The information about the intermolecular structural correlations, hydrogen-bonded molecular association in partcular is also obtained from the diffraction data analysis. -PACS number: 61.25 
  Reference    Z. Naturforsch. 56a, 825—831 (2001); received August 13 2001 
  Published    2001 
  Keywords    Conformation, Structure, Correlation, D-terr-Butanol, Neutron Diffraction 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0825.pdf 
 Identifier    ZNA-2001-56a-0825 
 Volume    56 
6Author    Hans-Uwe Schuster, Heinz-Walter Hinterkeuser, Wolfgang Schäfer, Georg WillRequires cookie*
 Title    Investigations on Neutron Diffraction of the Phases LiAISi and LiAlGe  
 Abstract    By neutron diffraction we found a decision on the distribution of the Al-Si(Ge)-atoms and the location of the lithium-atoms in the structures of the compounds LiAISi and LiAlGe. 
  Reference    (Z. Naturforsch. 31b, 1540—1541 [1976]; eingegangen am 30. Juli 1976) 
  Published    1976 
  Keywords    Ternary Lithium Compounds, Neutron Diffraction, Crystal Data 
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 TEI-XML for    default:Reihe_B/31/ZNB-1976-31b-1540_n.pdf 
 Identifier    ZNB-1976-31b-1540_n 
 Volume    31 
7Author    Michel Molinier, Christoph Frommen, Werner Massa, Jürgen Pebler, Thierry RoisnelRequires cookie*
 Title    Magnetism of Alkalitetrafluoromanganates (III) AM11F4 (A = K, Rb, Cs): Neutron Diffraction, Mössbauer and Magnetization Investigations  
 Abstract    The magnetic properties of the d 4 Jahn-Teller systems A'Mn m F 4 with layered structures were investigated. Neutron diffraction on powders of KMnF 4 and RbMnF 4 revealed different antiferro-magnetic spin arrangements below T N = 4.5 K and 2.3 K, respectively: for KMnF 4 canted antiparal-lel along a and b, for RbMnF 4 parallel along a and antiparallel along b, in both cases parallel along c, the stacking direction of layers. Mössbauer investigations on 57 Fe doped KMnF 4 confirmed a spin orientation approximately within the layer plane. A discussion is given of the contributions to the magnetic hyperfine field and the Mössbauer linewidth in quasi-two-dimensional antiferromagnets with Ising anisotropy due to thermal excitation of domain wall dynamics (solitons). The experimen-tal data seem to confirm the predicted exponential temperature dependence of the linewidth. From magnetization measurements on powders and a single crystal of KMnF 4 the 2-d exchange energy and the out-of-plane and in-plane anisotropies could be extracted. In addition, from susceptibility measurements the exchange energies of NaMnF 4 , RbMnF 4 and CsMnF 4 were calculated. A linear dependence of these exchange energies (positive for ferromagnetic CsMnF 4 , negative for the other AMnF 4 compounds) on the cos 2 of the Mn-F-Mn bridge angle is observed and compared with the behaviour of the AFeF 4 compounds which is also linear but with reverse sign of the slope. The specific superexchange mechanisms active in Jahn-Teller systems with antiferrodistortively ordered layers are suggested to be responsible for these findings. 
  Reference    Z. Naturforsch. 48a, 1054—1072 (1993); received September 17 1993 
  Published    1993 
  Keywords    Neutron diffraction, Mössbauer effect, Magnetization, Exchange and anisotropy energy 
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 TEI-XML for    default:Reihe_A/48/ZNA-1993-48a-1054.pdf 
 Identifier    ZNA-1993-48a-1054 
 Volume    48 
8Author    E. Sváb, F. Hajdu, Gy MészárosRequires cookie*
 Abstract    e m i-E m p iric a l F ittin g o f P a r t i a l P a i r C o r r e la tio n F u n c tio n s o f A m o rp h o u s A llo y s A semi-empirical fitting procedure has been developed and used in analysing the characteristic features of the partial structure factors of binary amorphous alloys. An analytical formula is given to fit the experimental atomic pair correlation function as a sum of Gaussians. The inverse Fourier transform of the fitted terms reproduces all features of the experimental structure function. In addition to the structural parameters, the modelling gives a quantitative explanation for the complex origin of characteristic features in the diffraction pattern such as pre-peak, pre-minimum, and split peaks in the partial structure factor. 
  Reference    Z. Naturforsch. 50a, 1205—1210 (1995); received September 22 1995 
  Published    1995 
  Keywords    Metallic glass, Short range order, Partial correlations, Neutron diffraction, Fitting 
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 TEI-XML for    default:Reihe_A/50/ZNA-1995-50a-1205.pdf 
 Identifier    ZNA-1995-50a-1205 
 Volume    50 
9Author    Uwe Hoppe, Günter Walter, Dörte Stachel, Andrea Barz, AlexC. HannonRequires cookie*
 Title    Neutron and X-ray Diffraction Study on the Structure of Ultraphosphate Glasses  
 Abstract    The high real-space resolution of neutron diffraction experiments which is provided by use of the epithermal neutrons from spallation sources was exploited in order to differentiate the unlike P-O bonds existing in the P0 4 units of phosphate glass networks. The 2 P-O distance peaks, separated by about 12 pm, which were found in the zinc and the calcium ultraphosphate glasses studied are assigned to oxygen sites on bridging (O b) and terminal (O X) positions. The mean P-O distances are nearly invariable versus the growing metal oxide content which results from an elongation of the P-O b and P-O t bonds. The bond lengths which are known from the related crystal structures and from ab initio calculations show almost the same behaviour. The discussion of further details of the crystal structures leads to the conclusion that P-O b rather than P-O t distances should show more details in case of diffraction measurements of even higher real-space resolution. The change of the Zn-O coordination number from 6 to 4 versus increasing ZnO content, which was obtained in previous X-ray diffraction experiments, is confirmed by the recent combination of neutron and X-ray diffraction data. On the other hand, the Ca-O coordination number of about 6 is almost invariable. 
  Reference    Z. Naturforsch. 52a, 259—269 (1997); received July 6 1996 
  Published    1997 
  Keywords    Neutron diffraction, X-ray diffraction, Phosphate glasses, Short-range order 
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 TEI-XML for    default:Reihe_A/52/ZNA-1997-52a-0259.pdf 
 Identifier    ZNA-1997-52a-0259 
 Volume    52 
10Author    Bernd Ziegler, Michael Witzel, Martin Schwarten, Dietrich BabelRequires cookie*
 Title    Neutronen-und Röntgenbeugungsuntersuchungen an Pulvern und Einkristallen von Strukturverwandten des Berliner Blaus: CsMnnCrln (CN)6 * D20 , NMe4MnII(Cr,M)6Mn0>»4)III(CN)6 * 8 H20 , NMe4MnIICoI1I(CN)6 * 8 H20 , Mn3ll[MnI1I(CN)6]2 * 15 H20 und Cd3[Fen l(CN)6]2 * 15 H20 Neutron and X-Ray Diffraction Studies on Powders and Single Crystals of Compounds Structurally Related to Prussian Blue: CsMn1ICrIII(CN)6 * D^O, NMe4MnII(Cr006Mn0 94)III(CN)6 * 8 H.O, NMe4MnnCoin(CN)6 * 8 H .O " Mn3II[MnIII(CN)6]2 * 15 H20 and Cd3[Fem(CN)6]2 * 15 H20  
 Abstract    The results of a Rietveld refinement of CsMnCr(CN)6 • D20 neutron powder data (a = 1084.3(1) pm, F43m, Z = 4) and of a neutron single crystal structure refinement of tetragonal NMe4M nII(Cro.o6Mno.94)III(CN)6 • 8 H20 (a = 1065.8(21), c = 1064.6(26) pm, P4/n, Z = 2) at ambient temperature are reported. Single crystal X-ray analyses of the isostructural octahydrate NMe4M nCo(CN)6 • 8 H20 (a = 1062.1 (1), c = 1046.2(1) pm) and of gel-grown crystals of cubic M n31I[M nI1I(CN)6]2 -15 H20 (a = 1062.6(3) pm, Fm3m, Z = 4/3) and Cd3[Fe(CN)6]2 • 15 H20 (a = 1067.7(3) pm) were performed as well. The latter "Prussian Blues" are highly disordered and intermediate with respect to cyano-bridging between the above three-dimensional cesium and one-dimensional tetramethylammonium compounds. 
  Reference    Z. Naturforsch. 54b, 870—876 (1999); eingegangen am 6. April 1999 
  Published    1999 
  Keywords    Crystal Structure, Neutron Diffraction, Prussian Blue, Hexacyanometallate(III) 
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 TEI-XML for    default:Reihe_B/54/ZNB-1999-54b-0870.pdf 
 Identifier    ZNB-1999-54b-0870 
 Volume    54 
11Author    Naohiro Yoshida, Noriko Onoda-Yamamuro, Shin'. Ichi Ishimaru, Keizo Horiuchi, Ryuichi IkedaRequires cookie*
 Title    Temperature Dependence of 2 H Quadrupole Coupling Constants in 2 H 2 0 and Ionic Motions in Crystalline IM( 2 H 2 0) 6 ] ISnCl 6 ] (M: Mg, Ca), Studied by 2 H NMR and Neutron Powder Diffraction  
 Abstract    The temperature dependence of 2 H NMR spectra was measured at 130-430 K on [M(D 2 0) 6 ] [SnCl 6 ] (M : Mg, Ca) (rhombohedral, space group: R3), and neutron powder diffraction on the Mg salt was performed at room temperature. Based on the accurate orientation of D 2 0 molecules in an octahedral cation, spectra with a large asymmetry parameter rj, observed around 200 K, were explained by a model of 180° flip of water molecules. Another motional narrowing observed above room temperature was assigned to a cationic overall reorientation about the C 3 -axis. 
  Reference    Z. Naturforsch. 53a, 473—479 (1998); received October 31 1997 
  Published    1998 
  Keywords    2 H NMR, Neutron Diffraction, Molecular Motion, Quadrupole Coupling Constant, Spectrum Lineshape 
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 TEI-XML for    default:Reihe_A/53/ZNA-1998-53a-0473.pdf 
 Identifier    ZNA-1998-53a-0473 
 Volume    53