Domain and crystal structure of superconductingBa2YCu3O8−δat 40 and 100 K by single-crystal neutron diffraction

1988 ◽  
Vol 37 (10) ◽  
pp. 5148-5157 ◽  
Author(s):  
G. J. McIntyre ◽  
A. Renault ◽  
G. Collin
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Single Crystal

Thermal Evolution of the Crystal Structure of the Rhombohedral Bi0.75Sr0.25O1.375 Phase: A Single Crystal Neutron Diffraction Study

1994 ◽  
Vol 112 (1) ◽  
pp. 1-8 ◽  
Author(s):  
D. Mercurio ◽  
J.C. Champarnaud-Mesjard ◽  
B. Frit ◽  
P. Conflant ◽  
J.C. Boivin ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Single Crystal ◽  
Diffraction Study ◽  
Thermal Evolution ◽  
Neutron Diffraction Study

X-ray and neutron diffraction investigation at 298 K of NH4I · NH3 and ND4I · ND3 containing the cation H3N – H … NH3+ and D3N – D … ND3+

1992 ◽  
Vol 200 (3-4) ◽  
Author(s):  
H. J. Berthold ◽  
E. Vonholdt ◽  
R. Wartchow ◽  
T. Vogt
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Neutron Diffraction ◽  
Single Crystal ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Single Crystal Structure ◽  
X Ray ◽  
Single Crystal Structure Analysis

AbstractNHA single crystal structure analysis of NThe deuterated compound NThe structures of the ordered low temperature phases will be reported separately.

A Re-investigation of the Crystal Structure of the Perovskite PbZrO3 by X-ray and Neutron Diffraction

1997 ◽  
Vol 53 (1) ◽  
pp. 135-142 ◽  
Author(s):  
D. L. Corker ◽  
A. M. Glazer ◽  
J. Dec ◽  
K. Roleder ◽  
R. W. Whatmore
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Neutron Diffraction ◽  
Single Crystal ◽  
Lead Zirconate ◽  
Conclusive Evidence ◽  
X Rays ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Investigations

The crystal structure of the perovskite lead zirconate PbZrO3 has been redetermined using single-crystal X-ray diffraction (Mo Kα radiation, λ = 0.71069 Å). Single-crystal data at 100 K: space group. Pbam, a = 5.884 (1), b = 11.787 (3), c = 8.231 (2) Å, V = 570.85 Å3 with Z = 8, μ = 612.6 cm−1, D x = 8.06 Mg m−3, F(000) = 1168, final R = 0.033, wR = 0.061 over 555 reflections with I > 2σ(I). An investigation is made into previous contradicting reports of a possible disorder in the O atoms and their origin by examining the crystal pseudo-symmetry. Information distinguishing an ordered and disordered oxygen substructure is shown to reside in weak l odd reflections. Because of their extremely low intensities these reflections have not contributed sufficiently in previous X-ray structure investigations and hence, to date, conclusive evidence differentiating between ordered and disordered models has not been possible. By collecting single-crystal X-ray data at low temperature and by using exceptionally long scans on selected hkl, l odd, reflections, a new accurate structure determination is presented and discussed, showing the true ordered oxygen positions. Because of the large difference in scattering factors between lead and oxygen when using X-rays, a neutron diffraction Rietveld refinement using polycrystalline samples (D1A instrument, ILL, λ = 1.90788 Å) is also reported as further evidence to support the true ordered oxygen structure revealed by the low-temperature X-ray analysis.

Crystal structure of a high-pressure phase of magnesium chloride hexahydrate determined by in-situ X-ray and neutron diffraction methods

2019 ◽  
Vol 75 (12) ◽  
pp. 1605-1612 ◽  
Author(s):  
Keishiro Yamashita ◽  
Kazuki Komatsu ◽  
Takanori Hattori ◽  
Shinichi Machida ◽  
Hiroyuki Kagi
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Neutron Diffraction ◽  
Single Crystal ◽  
Magnesium Chloride ◽  
High Pressure Phase ◽  
X Ray ◽  
Magnesium Chloride Hexahydrate ◽  
Chloride Hexahydrate ◽  
Pressure Phase

A high-pressure phase of magnesium chloride hexahydrate (MgCl2·6H2O-II) and its deuterated counterpart (MgCl2·6D2O-II) have been identified for the first time by in-situ single-crystal X-ray and powder neutron diffraction. The crystal structure was analyzed by the Rietveld method for the neutron diffraction pattern based on the initial structure determined by single-crystal X-ray diffraction. This high-pressure phase has a similar framework to that in the known ambient-pressure phase, but exhibits some structural changes with symmetry reduction caused by a subtle modification in the hydrogen-bond network around the Mg(H2O)6 octahedra. These structural features reflect the strain in the high-pressure phases of MgCl2 hydrates.

The crystal structure of phlogopite by neutron diffraction

1974 ◽  
Vol 39 (308) ◽  
pp. 850-856 ◽  
Author(s):  
J. H. Rayner
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Single Crystal ◽  
Diffraction Study ◽  
Three Dimensional ◽  
Site Occupancy ◽  
Fluorine Content ◽  
Neutron Diffraction Study ◽  
Hydroxyl Group ◽  
Octahedral Sites

SummaryThe positions of all the atoms including hydrogen have been found by a partial three-dimensional single-crystal neutron-diffraction study in which about one-third of the reflections in the reciprocal sphere to 1·5 Å were measured. The hydroxyl group is perpendicular to the plane of the silicate sheets. The fluorine content of this phlogopite is enough to occupy 25 % of the (OH, F) sites. Site occupancy refinement suggests that there is a small deficiency of hydrogen at the remaining sites and that the two crystallographically different octahedral sites are fully occupied by the same proportions of Mg, Ti, Fe, and Ca.

ChemInform Abstract: Crystal Structure Investigations of ZrAsxSey (x < y, x + y ≤ 2) by Single Crystal Neutron Diffraction at 300 K, 25 K and 2.3 K.

ChemInform ◽  
2010 ◽  
Vol 41 (36) ◽  
pp. no-no
Author(s):  
Rainer Niewa ◽  
Andreas Czulucki ◽  
Marcus Schmidt ◽  
Gudrun Auffermann ◽  
Tomasz Cichorek ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Single Crystal ◽  
Structure Investigations

Variable temperature study of the crystal structure of paracetamol (p-hydroxyacetanilide), by single crystal neutron diffraction

2000 ◽  
Vol 215 (11) ◽  
Author(s):  
C.C. Wilson
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Data Collection ◽  
Neutron Diffraction ◽  
Single Crystal ◽  
Crystal And Molecular Structure ◽  
Variable Temperature ◽  
Data Set ◽  
Temperature Study

The crystal and molecular structure of paracetamol (p-hydroxyacetanilide) has been determined by single crystal neutron diffraction at seven temperatures between 20 and 330 K. Short data collection times were used in this neutron study, with the fastest data set collected in just 5.5 hours, the longest in 11 hours. The structure is monoclinic, P2

Crystal structure investigations of ZrAsxSey (x>y, x+y≤2) by single crystal neutron diffraction at 300K, 25K and 2.3K

2010 ◽  
Vol 183 (6) ◽  
pp. 1309-1313 ◽  
Author(s):  
Rainer Niewa ◽  
Andreas Czulucki ◽  
Marcus Schmidt ◽  
Gudrun Auffermann ◽  
Tomasz Cichorek ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Single Crystal ◽  
Structure Investigations
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