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1Author    RalphO. SimmonsRequires cookie*
 Title    Single-Particle Momentum Distributions from Deep Inelastic Neutron Scattering (DINS)  
 Abstract    Single-particle longitudinal momentum distributions in condensed matter are now accessible to direct measurement using eV neutrons. Some systems of particular interest include a) quantum solids and fluids, formed from "Hie, 4 He, and H 2 , b) prototype molecular crystals, formed from noble gases, c) fluids such as H 2 and Ne, which show deviations from classical behavior and d) mixed systems, in which guest-host interactions may be important. Quantum solids can be investigated at substan-tially different densities, for different structures, and further, can be compared to the corresponding fluids, with which they have significant similarities in their single-particle properties such as their momentum distributions. Noble gas solids comprise a graduated family with progressively varying importance of zero-point energy, of phonon anharmonicity, and of multi-body forces. They have also been very useful for matrix isolation studies, and eV neutron scattering can yield their center-of-mass motions, not previously seen directly. Finally, noble gas fluids can be used to investigate the nature and extent of final-state effects in the neutron scatttering. Such effects are defined to be the difference between the longitudinal "neutron Compton profile" and the longitudinal momentum distribution. 
  Reference    Z. Naturforsch. 48a, 415—424 (1993); received December 27 1991 
  Published    1993 
  Keywords    Momentum distribution, Dynamics, Neutron scattering 
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 TEI-XML for    default:Reihe_A/48/ZNA-1993-48a-0415.pdf 
 Identifier    ZNA-1993-48a-0415 
 Volume    48 
2Author    Uwe Hoppe, Rainer Kranold, Emil Gattefa, Jörg Neuefeindb, DavidA. KeencRequires cookie*
 Title    An X-ray and Neutron Scattering Study of the Structure of Zinc Vanadate Glasses  
 Abstract    The short-range order of vitreous V20 5 and of three (Zn0)Jt(V20 5)1_x glasses with x = 0.2, 0.4, and 0.5 is studied by X-ray and neutron diffraction experiments where the change of the contrast allows to resolve the V -0 and Z n -0 correlations. The V -0 and the Z n -0 first-neighbor peaks are approximat­ ed by several Gaussian functions. In case of vitreous V20 5 two obvious V -0 distances exist which are related with V 0 4 and V 0 5 units. With ZnO additions the V -O coordination number decreases from 4.4 in vitreous V20 5 to 4.0 in the metavanadate glass where the strongest decrease of the fraction of V 0 5 units is found for glasses of * < 0.2. Dominantly, the V 0 5 groups are linked with the neighboring units by comers. The Z n-0 coordination numbers of the modified glasses are about five with closest dis­ tances of = 0.200 nm. 
  Reference    Z. Naturforsch. 56a, 478—4 (2001); received April 3 2001 
  Published    2001 
  Keywords    Neutron Scattering, X-ray Scattering, Short-range Order, Vanadate Glasses 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0478.pdf 
 Identifier    ZNA-2001-56a-0478 
 Volume    56 
3Author    Prof, Dr, DrRequires cookie*
 Title    Aluminiumphosphate mit nichtzentrosymmetrischen Schicht-und Raumnetzstrukturen aus topologisch verwandten Motiven: 2. KA12(P 0 4 )2 (0 H )* 2 H 20  
 Abstract    Alum inum Phosphates w ith N on-C entrosym m etric Layer-and Fram ew ork-Structures o f Topologically R elated M otifs: 2. K A l2(P0 4)2(0 H)-2 H 20 Stefan D icka, Gisbert G roßm annb, G isela O hm sb, M anfred M üller0 KAl2(P04)2(0 H)-2H20 was obtained by the reaction of gibbsite with a potassium-phosphate solution of pH = 5.5 at 373 K. A single crystal X-ray structure analysis showed that it is an ordered, F-free K-analog of the microporous compound AIPO4-CI2 . Crystal data: orthorhombic space group P 2 \2 \2 \, a = 920.5(1), b = 970.7(2), c = 982.8(2) pm, Z -4. The structure consists of dimeric units of AIOö octahedra and AIO5 trigonal bipyramids, bridged by an OH and two bidentate phosphate groups. The dimers are linked by phosphate to form corrugated layers which are topologically related to the layers in KAl2(P04)2(0 H)-4H20 and minyulite. The layers are connected by Al-O-P and hydrogen bonds to a three dimensional framework structure with K ions in channel-like cavities. A neutron powder scattering experiment with KAb(P04)2(0 D)-2D20 showed that the bridging OD group and only one D of each water molecule are involved in hydrogen bonding. 31P MAS NMR spectra show two isotropic lines at 6iso = —6.9 and -18,7 ppm of the intensity ratio 1:1 and confirm the presence of two crystallographically independent P atoms in the unit cell. In the 'H MAS NMR spectra the water molecules and the bridging OH group show signals at 5.9 and 1.1 ppm, respectively. 
  Reference    Z. Naturforsch. 52b, 1447—1455 (1997); eingegangen am 9. September 1997 
  Published    1997 
  Keywords    Crystal Structure, Neutron Scattering, MAS NMR, Aluminium Phosphate 
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 TEI-XML for    default:Reihe_B/52/ZNB-1997-52b-1447.pdf 
 Identifier    ZNB-1997-52b-1447 
 Volume    52 
4Author    Francoanellite K^alschpo^cpo, Stefan Dicka, Thomas ZeiskebRequires cookie*
 Title    Francoanellit K3A15HP04)6(P04)2*12H20: Struktur und Synthese durch topochemische Entwässerung von Taranakit-I 2 H2O: Structure and Synthesis by Topochemical Dehydration of Taranakite  
 Abstract    Single crystals of synthetic francoanellite K3Al5(HP0 4)6(P0 4)2-12H20 could be obtained for the first time by topochemical dehydration of taranakite crystals. An X-ray structure de­ termination showed francoanellite to be the mineral with the second longest crystallographic axis described hitherto. Crystal data: space group R3c, a = 869.0(2), c = 8227(1)pm, Z = 6 , R g = 0.042. Francoanellite is a layer structure mineral having six layers of composition [K3Al5(HP04)6(P04)2(H2 0)i2], connected by hydrogen bonds. The rigid layer is formed by columns of corner sharing hydrogen phosphate tetrahedra and AIOö-octahedra which are inter­ connected by additional six-coordinated A1 ions. In trigonal holes of the layer orthophosphate ions are situated. The structure of francoanellite is very similar to the structure of taranakite K3H6Al5(P04)8-18H20 which has planar water interlayers between the Al-phosphate layers. A neutron scattering experiment with subsequent Rietveld refinement of the powder pattern gave the H-atom positions. Hydrogen bonds in francoanellite are formed within the rigid layers and between them. During the reaction taranakite —► francoanellite crystals in an intermediate stage of dehy­ dration could be obtained. From the c-axis of 8858 pm and one-dimensional electron density projections it can be proposed that in these crystals every second water interlayer was lost and a first order staging product of the deintercalation of water from taranakite was formed. 
  Reference    Z. Naturforsch. 53b, 711—719 (1998); eingegangen am 2. März 1998 
  Published    1998 
  Keywords    Crystal Structure, Neutron Scattering, Francoanellite, Taranakite, Topochemical Reaction 
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 TEI-XML for    default:Reihe_B/53/ZNB-1998-53b-0711.pdf 
 Identifier    ZNB-1998-53b-0711 
 Volume    53 
5Author    E. Mikuli, A. Migdał-Mikuli, I. Natkaniec, J. MayerRequires cookie*
 Title    Phase Transitions and Water Dynamics of [Mn(H 2 0) 6 ](C10 4 ) 2 Studied by Differential Scanning Calorimetry and Neutron Scattering Methods  
 Abstract    DSC measurements performed at 95 -290 K have shown that [Mn(H 2 0) 6 ](C10 4) 2 possesses, besides a high-temperature phase, existing above 323 K, four low-temperature solid phases. The inelastic incoherent neutron scattering (IINS) spectra and neutron powder diffraction (NPD) pat-terns registered at 20 -290 K have supported the DSC results and provided evidence that the investigated substance possesses even more than five solid phases. The IINS spectra have shown that in the room-temperature phase, water molecules perform fast stochastic reorientation at the picosecond scale. The orientational disorder characteristic for the room-temperature phase can be easily overcooled and frozen. Even by relatively slow cooling at ca. 40 K/hour a metastable, orientational (protonic) glass phase is formed below ca. 160 K. Below ca. 100 K, a structural phase transition was observed by the NPD, however the IINS spectra indicate existence of the pure ordered low-temperature phase only after annealing the sample for a few hours at 100 K. On heating, a structural phase transition takes place at ca. 120 K, and at ca. 225 K water molecules begin fast reorientation. 
  Reference    Z. Naturforsch. 55a, 759—764 (2000); received July 7 2000 
  Published    2000 
  Keywords    Hexaaquamanganese(II) chlorate(VII), Phase Transitions, DSC, Neutron Scattering 
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 TEI-XML for    default:Reihe_A/55/ZNA-2000-55a-0759.pdf 
 Identifier    ZNA-2000-55a-0759 
 Volume    55 
6Author    Z. NaturforschRequires cookie*
 Title    A Neutron and X-ray Diffraction Study of the Structure of Nd Phosphate Glasses  
 Abstract    Diffraction experiments were performed on two (Nd203)x(P205)i_ x glasses for studying the en­ vironmental order of the Nd3+ cations. In case of the metaphosphate glass (x = 0.25) a combination of X-ray and neutron diffraction data was used to separate the N d-0 and 0 -0 first neighbor peaks. An N d-0 coordination number of 6.6±0.3 and a mean N d-0 distance of (0.239±0.001) nm were determined. In the ultraphosphate glass studied (x = 0.20) these values increase to 6.9±0.3 and (0.240±0.001) nm where the N d-0 coordination number is equal to the number of terminal oxygen atoms (0 T) which are available for coordination of each Nd3+ cation. This indicates the formation of NdOn polyhedra not sharing any O atom where also all 0 T's are in N d-0T-P positions. In the metaphosphate glass the NdO" polyhedra have to share some 0 T sites. 
  Reference    Z. Naturforsch. 56a, 237—243 (2001); received January 8 2001 
  Published    2001 
  Keywords    Neutron Scattering, X-ray Scattering, Short-range Order, Phosphate Glasses 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0237.pdf 
 Identifier    ZNA-2001-56a-0237 
 Volume    56 
7Author    StefanD. Icka, Gisbert Großmannb, G. Isela, Ohm Sb, Thom As ZeiskecRequires cookie*
 Title    Aluminiumphosphate mit nichtzentrosymmetrischen Schicht-und Raumnetzstrukturen aus topologisch verwandten Motiven: 1. KA12(P 0 4)2(0H)*4H20 Aluminum Phosphates with Non-Centrosym metric Layer-and Framework-Structures o f Topologically Related Motifs  
 Abstract    KAl2(P04)2(0 H)-4H20 could be obtained by the reaction of gibbsite with a potassium-phosphate solution of pH = 5.5 at 333 K. A single crystal X-ray structure analysis showed that KAl2(P04)2(0 H)-4H20 is isotypic with the mineral minyulite. Crystal data: orthorhombic space group P b a l, a = 934.7(1), b = 982, 1 (1), c = 551,0(1) pm, Z = 2. It possesses dimeric units of Al-octahedra which are bridged by an OH-and two bidentate phosphate groups. The dimers are linked by phosphate to plane polar layers. Cavities in the layers are occupied by K ions. One corner of each phosphate tetrahedron is not connected to Al but accepts four hydrogen bonds from water molecules bound to Al of the adjacent layer. A powder neutron scattering experiment with KAl2(P04)2(0 D)-4D20 showed that four D atoms and P coordinate the hydrogen bond accepting O in KAl2(P04)2(0 D)-4D20 like a square pyramid. Analogous dimeric building units are found in the Al phosphate minerals minyulite and morinite; similar dimers of Fe octahedra occur in the mineral copiapite, a number of Fe containing enzymes and numerous synthetic iron complexes. High-resolution 31P solid-state NMR spectra show only one isotropic line at <5;so = —9.6 ppm and confirm the presence of one symmetry independent phosphorus site in the unit cell. In the 'H-MAS-NMR spectra the water molecules and the bridging OH groups show signals at 5.4 and 1.4 ppm, respectively. 
  Reference    Z. Naturforsch. 52b, 1439—1446 (1997); eingegangen am 9. September 1997 
  Published    1997 
  Keywords    Crystal Structure, Neutron Scattering, MAS NMR, Minyulite, Aluminium Phosphate 
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 TEI-XML for    default:Reihe_B/52/ZNB-1997-52b-1439.pdf 
 Identifier    ZNB-1997-52b-1439 
 Volume    52 
8Author    Walter Hoyer, Hartmut Neumann, Manfred WobstRequires cookie*
 Title    Structure Investigation on Liquid Tellurium by X-Ray and Neutron Scattering  
 Abstract    We present the results of neutron and X-ray scattering experiments on liquid tellurium. No dependence on temperature of the radius and the coordination number of the first neighbour shell has been found in the temperature range between 460 °C and 550 °C. We investigate the influence of the truncation of the Fourier transformation on the determined coordination number of nearest neighbours and on the shape of the second coordination maximum at both, the lower and upper integration limit. The structure of liquid tellurium can be described in terms of a chain-like atomic arrangement with two bonds per atom. 
  Reference    Z. Naturforsch. 47a, 833—840 (1992); received May 8 1992 
  Published    1992 
  Keywords    Neutron scattering, X-ray scattering, Short-range order, Liquid tellurium, Termination effect 
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 TEI-XML for    default:Reihe_A/47/ZNA-1992-47a-0833.pdf 
 Identifier    ZNA-1992-47a-0833 
 Volume    47 
9Author    E. Mikuli, A. Migdał-Mikuli, I. Natkanieca, B. GradRequires cookie*
 Title    Phase Transitions and Water Dynamics of [Co(H20 ) 6](C104)2 and [Mn(H20 ) 6](BF4)2 Studied by Neutron Scattering Methods  
 Abstract    Inelastic incoherent neutron scattering (IINS) spectra and neutron powder diffraction (NPD) patterns, registered for [Co(H20) 6](C104)2 at 18 -270 K and for [Mn(H20) 6](BF4)2 at 18 -230 K, provided evidence that these crystals possess three solid phases in these ranges of temperatures. In both compounds the phase transition occurring at T C3 is connected with a change of the crystal structure, and that occurring at T C2 with a change in the rate of the reorientational motions of H20 ligands. 
  Reference    Z. Naturforsch. 56a, 244 (2001); received December 12 2000 
  Published    2001 
  Keywords    Hexaaquacobalt(II) chlorate(VII) and Hexaaquamanganese(II) tetrafluoroborate, Phase Transitions, Structural Changes, Water Reorientation, Neutron Scattering 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0244.pdf 
 Identifier    ZNA-2001-56a-0244 
 Volume    56 
10Author    P. Andonov, H. E. Fischer3 ', P. Palleau3, S. KimurabRequires cookie*
 Title    Structural Study of Liquid Lithium Niobate by Neutron Diffraction Role of the Li Atom in the Clustering Near Solidification  
 Abstract    The structure of liquid LiNb03 has been investigated by neutron diffraction using samples with dif­ ferent isotopic composition of lithium. The intensity scattered by these samples has been measured for momentum transfers 0.4 A-1 < Q < 17.1 Ä-1 and temperatures 1600 K>T> 1500 K, which include the undercooling domain. From an analysis of the correlation functions Gt j (r) of the atomic pairs Li-Li, Li-Nb, Li-O and their structural evolutions, given by A G,_v (r) = G,_j (r)1500 -G,_, (r)1550 made with reference to the crystalline LiNb03 ferroelectric structure, it was possible to confirm a local ordering similar to that of the crystal. The presence of clusters (groupings of N b 03 octahedra) is confirmed. Both regular and irregular N b06 octahedra are observed in the liquid near solidification. With its high mobil­ ity in the melt, the Li atom plays an important role in the clustering: the Li— O and Li— Nb bonds make possible the staking of four octahedra groups into clusters of eight octahedra or more. The Li-Li bonds join these groups. The diameter of the clusters is a least 22 A in the undercooling regime. 
  Reference    Z. Naturforsch. 56a, 395—406 (2001); received February 12 2001 
  Published    2001 
  Keywords    Structure of Liquids, Neutron Scattering, Atomic Clusters, Liquid Lithium Niobate 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0395.pdf 
 Identifier    ZNA-2001-56a-0395 
 Volume    56 
11Author    Hartmut Neumann, Walter Hoyer, Manfred WobstRequires cookie*
 Abstract    From neutron and X-ray diffraction investigations on liquid Ge15Te85, Sn16Te84 and Pb14 5Te85 5 alloys the coordination numbers and nearest neighbour distances of these systems are obtained. The partial structure factors and partial pair correlations reveal that the short-range order of the eutectic Ge-Te melt differs from that of the eutectic Sn-Te and Pb-Te melts. 
  Reference    Z. Naturforsch. 46a, 739 (1991); received June 19 1991 
  Published    1991 
  Keywords    Neutron scattering, X-ray scattering, short-range order, liquid alloys, eutectic Ge-Te, Sn-Te and Pb-Te melts 
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 TEI-XML for    default:Reihe_A/46/ZNA-1991-46a-0739.pdf 
 Identifier    ZNA-1991-46a-0739 
 Volume    46