X-ray and neutron diffraction studies on .lambda.-hydrido-octacarbonyl(nitrosyl)(trimethyl phosphite)ditungsten. A compound with a slightly asymmetric hydrogen bridge bond

1976 ◽  
Vol 98 (15) ◽  
pp. 4491-4498 ◽  
Author(s):  
Richard A. Love ◽  
Henry B. Chin ◽  
Thomas F. Koetzle ◽  
Stephen W. Kirtley ◽  
Bruce R. Whittlesey ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Trimethyl Phosphite ◽  
Hydrogen Bridge ◽  
Bridge Bond ◽  
X Ray

ChemInform Abstract: X-RAY AND NEUTRON DIFFRACTION STUDIES ON Λ-HYDRIDO-OCTACARBONYL(NITROSYL)(TRIMETHYL PHOSPHITE)DITUNGSTEN. A COMPOUND WITH A SLIGHTLY ASYMMETRIC HYDROGEN BRIDGE BOND

1976 ◽  
Vol 7 (42) ◽  
pp. no-no
Author(s):  
RICHARD A. LOVE ◽  
HENRY B. CHIN ◽  
THOMAS F. KOETZLE ◽  
STEPHEN W. KIRTLEY ◽  
BRUCE R. WHITTLESEY ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Trimethyl Phosphite ◽  
Hydrogen Bridge ◽  
Bridge Bond ◽  
X Ray

Texture measurements in Al2O3 using BEKP

1994 ◽  
Vol 52 ◽  
pp. 608-609
Author(s):  
M. D. Vaudin ◽  
J. P. Cline
Keyword(s):  
Neutron Diffraction ◽  
Rapid Method ◽  
Crystallographic Orientation ◽  
Specimen Surface ◽  
X Ray Diffraction ◽  
Anisotropic Crystal ◽  
X Ray ◽  
Verification Method ◽  
Crystal Properties ◽  
Backscattered Electron

The study of preferred crystallographic orientation (texture) in ceramics is assuming greater importance as their anisotropic crystal properties are being used to advantage in an increasing number of applications. The quantification of texture by a reliable and rapid method is required. Analysis of backscattered electron Kikuchi patterns (BEKPs) can be used to provide the crystallographic orientation of as many grains as time and resources allow. The technique is relatively slow, particularly for noncubic materials, but the data are more accurate than any comparable technique when a sufficient number of grains are analyzed. Thus, BEKP is well-suited as a verification method for data obtained in faster ways, such as x-ray or neutron diffraction. We have compared texture data obtained using BEKP, x-ray diffraction and neutron diffraction. Alumina specimens displaying differing levels of axisymmetric (0001) texture normal to the specimen surface were investigated.BEKP patterns were obtained from about a hundred grains selected at random in each specimen.

scholarly journals Polymorphs of Rb3ScF6: X-ray and Neutron Diffraction, Solid-State NMR, and Density Functional Theory Calculations Study

2021 ◽  
Vol 60 (8) ◽  
pp. 6016-6026
Author(s):  
Aydar Rakhmatullin ◽  
Maxim S. Molokeev ◽  
Graham King ◽  
Ilya B. Polovov ◽  
Konstantin V. Maksimtsev ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Neutron Diffraction ◽  
Solid State Nmr ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
X Ray

scholarly journals Complex magnetic properties associated with competing local and itinerant magnetism in $${\text {Pr}}_2 {\text {Co}}_{0.86} {\text {Si}}_{2.88}$$

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Mily Kundu ◽  
Santanu Pakhira ◽  
Renu Choudhary ◽  
Durga Paudyal ◽  
N. Lakshminarasimhan ◽  
...  
Keyword(s):  
Heat Capacity ◽  
Neutron Diffraction ◽  
Single Phase ◽  
Magnetic Transition ◽  
Muon Spin Rotation ◽  
Antiferromagnetic Coupling ◽  
Diffraction Measurement ◽  
Zero Field ◽  
Crystalline Electric Field ◽  
X Ray

AbstractTernary intermetallic compound $${\text {Pr}}_2 {\text {Co}}_{0.86} {\text {Si}}_{2.88}$$ Pr 2 Co 0.86 Si 2.88 has been synthesized in single phase and characterized by x-ray diffraction, scanning electron microscopy with energy dispersive x-ray spectroscopy (SEM-EDX) analysis, magnetization, heat capacity, neutron diffraction and muon spin rotation/relaxation ($$\mu$$ μ SR) measurements. The polycrystalline compound was synthesized in single phase by introducing necessary vacancies in Co/Si sites. Magnetic, heat capacity, and zero-field neutron diffraction studies reveal that the system undergoes magnetic transition below $$\sim$$ ∼ 4 K. Neutron diffraction measurement further reveals that the magnetic ordering is antiferromagnetic in nature with an weak ordered moment. The high temperature magnetic phase has been attributed to glassy in nature consisting of ferromagnetic clusters of itinerant (3d) Co moments as evident by the development of internal field in zero-field $$\mu$$ μ SR below 50 K. The density-functional theory (DFT) calculations suggest that the low temperature magnetic transition is associated with antiferromagnetic coupling between Pr 4f and Co 3d spins. Pr moments show spin fluctuation along with unconventional orbital moment quenching due to crystal field. The evolution of the symmetry and the crystalline electric field environment of Pr-ions are also studied and compared theoretically between the elemental Pr and when it is coupled with other elements such as Co. The localized moment of Pr 4f and itinerant moment of Co 3d compete with each other below $$\sim$$ ∼ 20 K resulting in an unusual temperature dependence of magnetic coercivity in the system.

Design of a novel Peltier-based cooling device and its use in neutron diffraction data collection of perdeuterated yeast pyrophosphatase

2010 ◽  
Vol 43 (5) ◽  
pp. 1113-1120 ◽  
Author(s):  
Esko Oksanen ◽  
François Dauvergne ◽  
Adrian Goldman ◽  
Monika Budayova-Spano
Keyword(s):  
Data Collection ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Catalytic Mechanism ◽  
Inorganic Pyrophosphatase ◽  
Neutron Diffraction Data ◽  
Cooling Device ◽  
Data Set ◽  
X Ray ◽  
X Ray Crystallography

H atoms play a central role in enzymatic mechanisms, but H-atom positions cannot generally be determined by X-ray crystallography. Neutron crystallography, on the other hand, can be used to determine H-atom positions but it is experimentally very challenging. Yeast inorganic pyrophosphatase (PPase) is an essential enzyme that has been studied extensively by X-ray crystallography, yet the details of the catalytic mechanism remain incompletely understood. The temperature instability of PPase crystals has in the past prevented the collection of a neutron diffraction data set. This paper reports how the crystal growth has been optimized in temperature-controlled conditions. To stabilize the crystals during neutron data collection a Peltier cooling device that minimizes the temperature gradient along the capillary has been developed. This device allowed the collection of a full neutron diffraction data set.

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