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

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 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

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.

scholarly journals High-pressure single-crystal structure investigations of sillenites

2010 ◽  
Vol 66 (a1) ◽  
pp. s198-s199 ◽  
Author(s):  
Leonore Wiehl ◽  
Alexandra Friedrich ◽  
Eiken Haussühl ◽  
Wolfgang Morgenroth ◽  
Björn Winkler
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Single Crystal ◽  
Single Crystal Structure ◽  
Structure Investigations

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.

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