Structural Investigations on Scandium Substituted Nasicons. Order Disorder Effects

1988 ◽  
Vol 135 ◽  
Author(s):  
A. Clearfield ◽  
P.G. Hinson ◽  
P.R. Rudolf ◽  
P.J. Squattrito
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Data ◽  
Monoclinic Phase ◽  
Similar Type ◽  
Sodium Ions ◽  
Neutron Diffraction Data ◽  
Structural Investigations ◽  
Disorder Effects ◽  
Phosphate Compound ◽  
Phosphate Groups

AbstractNeutron diffraction data were used to refine the structures of three scandium substituted NASICONS: Na2 ZrSc(PO4)3, R3c Na2.5 Zr1.8 Sc0.2 Si1.7 O12 R3c and Na2.7. Zr1.0 Sc0.2Si1.5 P1.5O12, C2/c. The phosphate (compound 1) exhibited oxygen disorder. The second compound exhibited a similar type of oxygen disorder but also an interstitial Na+ position. The oxygen disorder in compound 2 apparently results from the position of the interstitial Nae whereas it is suggested that the Sc site in Na2 ZrSC(PO4)3 is slightly removed from that of the Zr position, requiring a shift of phosphate groups. In contrast the monoclinic phase does not exhibit oxygen disorder and all the sodium ions reside within the cavities.

scholarly journals In situ structural and texture analyses of monoclinic phase for polycrystalline Ni-rich Ti49.86Ni50.14 alloy from neutron diffraction data

2008 ◽  
Vol 23 (1) ◽  
pp. 35-40 ◽  
Author(s):  
Husin Sitepu
Keyword(s):  
Phase Transformation ◽  
Neutron Diffraction ◽  
Differential Scanning Calorimeter ◽  
Diffraction Data ◽  
Monoclinic Phase ◽  
Neutron Diffraction Data ◽  
Monoclinic Crystal ◽  
Data Set ◽  
One Step

Phase transformation temperatures of a polycrystalline Ni-rich Ti49.86Ni50.14 shape memory alloy were investigated using a differential scanning calorimeter. In situ structural and texture analyses of the monoclinic Ti49.86Ni50.14 were investigated using neutron powder diffractometer technique. Differential scanning calorimeter results showed that this Ni-rich alloy has a one-step cubic to monoclinic martensitic phase transformation on cooling and a one-step monoclinic to cubic transformation on heating. In situ high-resolution neutron powder diffraction data of the monoclinic phase from low temperatures to room temperature on heating are consistent with the differential scanning calorimeter’s heating results. In addition, the refined monoclinic crystal structure parameters for all neutron diffraction data sets agree satisfactorily with single-crystal X-ray diffraction results. The multiple-data-set capabilities of the GSAS Rietveld refinement program, with a generalized spherical-harmonics description was used successfully to extract the texture description directly from a simultaneous refinement using 52 time-of-flight monoclinic neutron diffraction patterns, taken from a polycrystalline sample held in 13 orientations inside the diffractometer.

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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