Crystal structure, mosaicity, and strain analysis of Hawaiian olivines using in situ X-ray diffraction

2011 ◽  
Vol 96 (4) ◽  
pp. 486-497 ◽  
Author(s):  
N. Vinet ◽  
R. L. Flemming ◽  
M. D. Higgins
Keyword(s):  
Crystal Structure ◽  
Strain Analysis ◽  
X Ray Diffraction ◽  
X Ray

PHASE TRANSITION IN LAYERED PEROVSKITE LIKE MANGANATE Ca3Mn2O7 UNDER HIGH PRESSURE

2001 ◽  
Vol 15 (18) ◽  
pp. 2491-2497 ◽  
Author(s):  
J. L. ZHU ◽  
L. C. CHEN ◽  
R. C. YU ◽  
F. Y. LI ◽  
J. LIU ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Diamond Anvil Cell ◽  
The Other ◽  
Layered Perovskite ◽  
X Ray Diffraction ◽  
Two Phase ◽  
X Ray ◽  
Diamond Anvil

In situ high pressure energy dispersive X-ray diffraction measurements on layered perovskite-like manganate Ca 3 Mn 2 O 7 under pressures up to 35 GPa have been performed by using diamond anvil cell with synchrotron radiation. The results show that the structure of layered perovskite-like manganate Ca 3 Mn 2 O 7 is unstable under pressure due to the easy compression of NaCl-type blocks. The structure of Ca 3 Mn 2 O 7 underwent two phase transitions under pressures in the range of 0~35 GPa. One was at about 1.3 GPa with the crystal structure changing from tetragonal to orthorhombic. The other was at about 9.5 GPa with the crystal structure changing from orthorhombic back to another tetragonal.

scholarly journals X-Ray Single Crystal Structural Analysis of Magnetically Oriented Microcrystals

2014 ◽  
Vol 70 (a1) ◽  
pp. C1138-C1138
Author(s):  
Chiaki Tsuboi ◽  
Kazuki Aburaya ◽  
Shingo Higuchi ◽  
Fumiko Kimura ◽  
Masataka Maeyama ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Three Dimensional ◽  
Diffraction Measurement ◽  
X Ray Diffraction ◽  
Data Set ◽  
Uv Curable ◽  
X Ray

We have developed magnetically oriented microcrystal array (MOMA) technique that enables single crystal X-ray diffraction analyses from microcrystalline powder. In this method, microcrystals suspended in a UV-curable monomer matrix are there-dimensionally aligned by special rotating magnetic field, followed by consolidation of the matrix by photopolymerization. From thus achieved MOMAs, we have been succeeded in crystal structure analysis for some substances [1, 2]. Though MOMA method is an effective technique, it has some problems as follows: in a MOMA, the alignment is deteriorated during the consolidation process. In addition, the sample microcrystals cannot be recovered from a MOMA. To overcome these problems, we performed an in-situ X-ray diffraction measurement using a three-dimensional magnetically oriented microcrystal suspension (3D MOMS) of L-alanine. An experimental setting of the in-situ X-ray measurement of MOMS is schematically shown in the figure. L-alanine microcrystal suspension was poured into a glass capillary and placed on the rotating unit equipped with a pair of neodymium magnets. Rotating X-ray chopper with 10°-slits was placed between the collimator and the suspension. By using this chopper, it was possible to expose the X-ray only when the rotating MOMS makes a specific direction with respect to the impinging X-ray. This has the same effect as the omega oscillation in conventional single crystal measurement. A total of 22 XRD images of 10° increments from 0° to 220° were obtained. The data set was processed by using conventional software to obtain three-dimensional molecular structure of L-alanine. The structure is in good agreement with that reported for the single crystal. R1 and wR2 were 6.53 and 17.4 %, respectively. RMSD value between the determined molecular structure and the reported one was 0.0045 Å. From this result, we conclude that this method can be effective and practical to be used widely for crystal structure analyses.

Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction

CrystEngComm ◽  
2019 ◽  
Vol 21 (1) ◽  
pp. 41-52 ◽  
Author(s):  
Siriyara Jagannatha Prathapa ◽  
Cara Slabbert ◽  
Manuel A. Fernandes ◽  
Andreas Lemmerer
Keyword(s):  
Crystal Structure ◽  
Fatty Acid ◽  
Fatty Acid Ester ◽  
Structure Determination ◽  
Homologous Series ◽  
Methyl Esters ◽  
X Ray Diffraction ◽  
X Ray

In situ cryocrystallisation enabled the crystal structure determination of a homologous series of low-melting n-alkyl methyl esters Cn−1H2n+1CO2CH3.

The new barium compound Ba4Al7+x: formation and crystal structure

2016 ◽  
Vol 71 (5) ◽  
pp. 611-619 ◽  
Author(s):  
Yurii Prots ◽  
Felix Lange ◽  
Christina Drathen ◽  
Marcus Schmidt ◽  
Yuri Grin
Keyword(s):  
Crystal Structure ◽  
Structural Model ◽  
Model Space ◽  
Binary Compound ◽  
Formation Temperature ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Laves Phases ◽  
X Ray

AbstractCombining laboratory X-ray powder diffraction with in-situ high-temperature synchrotron experiments and differential scanning calorimetry, it has been shown that Ba21Al40, Ba3Al5, Ba7Al10 and Ba4Al5 decompose peritectically at 914, 826, 756, and 732°C, respectively. In addition, a new binary compound with the composition Ba4Al7+x (x = 0.17) and the formation temperature of 841°C was found. The initial structural model (space group P63/mmc, a = 6.0807(1), c = 39.2828(8) Å) with four Ba and five Al crystallographic positions was developed. It is based on the intergrowth concept involving the neighboring Ba21Al40 and Ba3Al5 phases and the derived atomic arrangement is subsequently refined using X-ray diffraction data. The crystal structures of all phases in the Ba–Al system, except BaAl4, exhibit Kagomé nets of aluminum atoms resembling those observed for the B atoms in the Laves phases AB2. In the crystal structure of Ba4Al7+x, single Kagomé layers alternate with double slabs (MgZn2 motif) along [001] and are separated by Ba cations. Intergrowth features of Ba4Al7+x are discussed together with the neighboring Ba–Al compounds and Sr5Al9.

A Stand-Alone Mesoporous Crystal Structure Model from in situ X-ray Diffraction: Nitrogen Adsorption on 3 D Cagelike Mesoporous Silica SBA-16

2012 ◽  
Vol 18 (33) ◽  
pp. 10300-10311 ◽  
Author(s):  
Keiichi Miyasaka ◽  
Hiroko Hano ◽  
Yoshiki Kubota ◽  
Yangzheng Lin ◽  
Ryong Ryoo ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Mesoporous Silica ◽  
Nitrogen Adsorption ◽  
Structure Model ◽  
X Ray Diffraction ◽  
X Ray

In situ X-ray diffraction studies of Pr2−NiO4+ crystal structure relaxation caused by oxygen loss

2014 ◽  
Vol 262 ◽  
pp. 918-922 ◽  
Author(s):  
V. Sadykov ◽  
Yu. Okhlupin ◽  
N. Yeremeev ◽  
Z. Vinokurov ◽  
A. Shmakov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
X Ray Diffraction ◽  
Oxygen Loss ◽  
X Ray ◽  
Structure Relaxation
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