NMR in single crystals of Ca(OH)2

1977 ◽  
Vol 55 (7-8) ◽  
pp. 654-662 ◽  
Author(s):  
F. Holuj ◽  
J. Wieczorek
Keyword(s):  
Neutron Diffraction ◽  
Single Cell ◽  
Single Crystals ◽  
Method Of Moments ◽  
Diffraction Data ◽  
Neutron Diffraction Data ◽  
Nmr Method ◽  
Vibrational Correction

Single crystals of Ca(OH)2 were studied at 25 °C and −170 °C by the NMR method. The method of moments which included the vibrational correction was used to analyze the results with a view to comparing the position of the proton in the single cell obtained by this method, with that obtained by other methods. The agreement with neutron diffraction data is close.

Hydrogen positions in potassium pentaborate tetrahydrate as determined by neutron diffraction

1970 ◽  
Vol 48 (9) ◽  
pp. 1091-1097 ◽  
Author(s):  
J. P. Ashmore ◽  
H. E. Petch
Keyword(s):  
Neutron Diffraction ◽  
Water Molecule ◽  
Least Squares ◽  
Single Crystals ◽  
Diffraction Data ◽  
Hydroxyl Groups ◽  
Neutron Diffraction Data ◽  
Hydrogen Atoms ◽  
X Ray ◽  
Atomic Coordinates

Neutron diffraction data obtained with single crystals of potassium pentaborate tetrahydrate have been analyzed using least squares methods. Apart from significant differences in the atomic coordinates of the hydrogen atoms, the structure is in agreement with recent X-ray work. The O—H distances in the hydroxyl groups are 1.012 ± 0.018 and 0.955 ± 0.020 Å. In contrast to the X-ray results, the geometry of the water molecule is normal for an inorganic hydrate with O—H distances of 0.954 ± 0.026 and 1.004 ± 0.018 Å and an H—O—H angle of 108 ± 2°.

A neutron-diffraction study of potassium bromide

1973 ◽  
Vol 137 (4) ◽  
Author(s):  
G. E. Bacon ◽  
D. H. Titterton ◽  
C. R. Walker
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Data ◽  
Diffuse Scattering ◽  
Scattering Amplitude ◽  
Coherent Scattering ◽  
Neutron Diffraction Study ◽  
Potassium Bromide ◽  
Neutron Diffraction Data ◽  
Thermal Diffuse Scattering ◽  
Thermal Diffuse

AbstractNeutron-diffraction data have been collected from a KBr single crystal. 380 reflections were measured, reducing to 23 when averaged over equivalents. Data were corrected for extinction and thermal diffuse scattering and refinement yielded a neutron coherent scattering amplitude

Extracting fluid structures from neutron diffraction data

1995 ◽  
Vol 236 (1-2) ◽  
pp. 1-7 ◽  
Author(s):  
Haluk Resat ◽  
Enci Zhong ◽  
Harold L. Friedman
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Data ◽  
Neutron Diffraction Data

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.

Low temperature neutron diffraction data for CeCo0.86Ge2

2005 ◽  
Vol 387 (1-2) ◽  
pp. L8-L10 ◽  
Author(s):  
A. Gil ◽  
B. Penc ◽  
J. Hernandez-Velasco ◽  
E. Wawrzyńska ◽  
A. Szytuła
Keyword(s):  
Low Temperature ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Neutron Diffraction Data

Low Temperature Neutron Diffraction Data for CeCo0.86Ge2.

ChemInform ◽  
2005 ◽  
Vol 36 (15) ◽  
Author(s):  
A. Gil ◽  
B. Penc ◽  
J. Hernandez-Velasco ◽  
E. Wawrzynska ◽  
A. Szytula
Keyword(s):  
Low Temperature ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Neutron Diffraction Data

Neutron diffraction data on liquid D2 from steady- and pulsed-source experiments

1995 ◽  
Vol 213-214 ◽  
pp. 465-467 ◽  
Author(s):  
U. Bafile ◽  
F. Barocchi ◽  
E. Guarini ◽  
R. Magli ◽  
M. Zoppi
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Data ◽  
Neutron Diffraction Data
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