scholarly journals Effect of Crystallinity of β- and βbc-Nickel Hydroxide Samples on Chemical Cycling

2015 ◽  
Vol 2015 ◽  
pp. 1-7 ◽  
Author(s):  
Ramesh Thimmasandra Narayan
Keyword(s):  
Diffraction Data ◽  
Nickel Hydroxide ◽  
Ammonium Hydroxide ◽  
Structural Disorder ◽  
Chemical Oxidation ◽  
Cobalt Hydroxide ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns ◽  
Nickel Oxyhydroxide

β-phases of nickel hydroxide and cobalt hydroxide samples crystallize in cadmium iodide type structure. β-cobalt hydroxide on oxidation generates β-CoOOH which crystallized in 3R1 polytype while the structure of β-phase of NiOOH polytype is less well understood. β- and βbc-phases of nickel hydroxide samples were prepared by using ammonium hydroxide and sodium hydroxide as precipitating agents. Powder X-ray diffraction data shows that β-phase of nickel hydroxide is perfectly crystalline in nature while βbc-phase of nickel hydroxide is poorly ordered. β- and βbc-phases of nickel hydroxide samples were subjected to chemical oxidation using sodium hypochlorite. The oxidized phases of β- and βbc-phases of nickel oxyhydroxide are highly disordered and the broadening of reflections in the powder X-ray diffraction patterns is due to the presence of structural disorder, variations in the crystallite size, and strain. On reduction of β- and βbc-phases of nickel oxyhydroxide, the powder X-ray diffraction patterns visually match the powder X-ray diffraction data of the pristine phases of β- and βbc-phases of nickel hydroxide indicating that the β-phase of nickel hydroxide does not transform to βbc-phase of nickel hydroxide, but the particle sizes are significantly affected.

IDATENandG-SITENNO: GUI-assisted software for coherent X-ray diffraction imaging experiments and data analyses at SACLA

2014 ◽  
Vol 21 (6) ◽  
pp. 1378-1383 ◽  
Author(s):  
Yuki Sekiguchi ◽  
Masaki Yamamoto ◽  
Tomotaka Oroguchi ◽  
Yuki Takayama ◽  
Shigeyuki Suzuki ◽  
...  
Keyword(s):  
User Interfaces ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Custom Made ◽  
Sample Position ◽  
Diffraction Imaging ◽  
Diffraction Patterns ◽  
User Friendly ◽  
Ccd Detectors

Using our custom-made diffraction apparatus KOTOBUKI-1 and two multiport CCD detectors, cryogenic coherent X-ray diffraction imaging experiments have been undertaken at the SPring-8 Angstrom Compact free electron LAser (SACLA) facility. To efficiently perform experiments and data processing, two software suites with user-friendly graphical user interfaces have been developed. The first is a program suite namedIDATEN, which was developed to easily conduct four procedures during experiments: aligning KOTOBUKI-1, loading a flash-cooled sample into the cryogenic goniometer stage inside the vacuum chamber of KOTOBUKI-1, adjusting the sample position with respect to the X-ray beam using a pair of telescopes, and collecting diffraction data by raster scanning the sample with X-ray pulses. NamedG-SITENNO, the other suite is an automated version of the originalSITENNOsuite, which was designed for processing diffraction data. These user-friendly software suites are now indispensable for collecting a large number of diffraction patterns and for processing the diffraction patterns immediately after collecting data within a limited beam time.

The X-Ray Powder Diffraction Patterns and Crystal Structure for Al2M3Y(M=Cu, Ni)

2014 ◽  
Vol 950 ◽  
pp. 48-52
Author(s):  
De Gui Li ◽  
Ming Qin ◽  
Liu Qing Liang ◽  
Zhao Lu ◽  
Shu Hui Liu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Hexagonal Structure ◽  
Argon Atmosphere ◽  
X Ray Diffraction ◽  
High Quality ◽  
X Ray ◽  
Arc Melting ◽  
Diffraction Patterns

The Al2M3Y(M=Cu, Ni) compound was synthesized by arc melting under argon atmosphere. The high-quality powder X-ray diffraction data of Al2M3Y have been presented. The refinement of the X-ray diffraction patterns for the Al2M3Y compound show that the Al2M3Y has hexagonal structure, space groupP6/mmm(No.191), with a = b = 5.1618(2) Å, c = 4.1434(1) Å,V= 95.6 Å3,Z= 1,ڑx= 5.7922 g/cm3,F30= 155.5(0.0057, 34), RIR = 2.31 for Al2Cu3Y, and with a = b = 5.0399(1) Å, c = 4.0726(1) Å,V= 89.59 Å3,Z= 1,ڑx= 5.9118 g/cm3,F30= 135.7(0.0072, 30), RIR = 2.54 for Al2Ni3Y.

X-ray powder diffraction data for compound DyNiSn

1997 ◽  
Vol 12 (3) ◽  
pp. 134-135
Author(s):  
Liangqin Nong ◽  
Lingmin Zeng ◽  
Jianmin Hao
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Figure Of Merit ◽  
Room Temperature ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Diffraction Patterns

The compound DyNiSn has been studied by X-ray powder diffraction. The X-ray diffraction patterns for this compound at room temperature are reported. DyNiSn is orthorhombic with lattice parameters a=7.1018(1) Å, b=7.6599(2) Å, c=4.4461(2) Å, space group Pna21 and 4 formula units of DyNiSn in unit cell. The Smith and Snyder Figure-of-Merit F30 for this powder pattern is 26.7(0.0178,63).

A complex pseudo-decagonal quasicrystal approximant, Al37(Co,Ni)15.5, solved by rotation electron diffraction

2014 ◽  
Vol 47 (1) ◽  
pp. 215-221 ◽  
Author(s):  
Devinder Singh ◽  
Yifeng Yun ◽  
Wei Wan ◽  
Benjamin Grushko ◽  
Xiaodong Zou ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Single Crystal ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Basic Structure ◽  
Electron Diffraction Data ◽  
Dimensional Electron ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns

Electron diffraction is a complementary technique to single-crystal X-ray diffraction and powder X-ray diffraction for structure solution of unknown crystals. Crystals too small to be studied by single-crystal X-ray diffraction or too complex to be solved by powder X-ray diffraction can be studied by electron diffraction. The main drawbacks of electron diffraction have been the difficulties in collecting complete three-dimensional electron diffraction data by conventional electron diffraction methods and the very time-consuming data collection. In addition, the intensities of electron diffraction suffer from dynamical scattering. Recently, a new electron diffraction method, rotation electron diffraction (RED), was developed, which can overcome the drawbacks and reduce dynamical effects. A complete three-dimensional electron diffraction data set can be collected from a sub-micrometre-sized single crystal in less than 2 h. Here the RED method is applied forab initiostructure determination of an unknown complex intermetallic phase, the pseudo-decagonal (PD) quasicrystal approximant Al37.0(Co,Ni)15.5, denoted as PD2. RED shows that the crystal is F-centered, witha= 46.4,b= 64.6,c= 8.2 Å. However, as with other approximants in the PD series, the reflections with oddlindices are much weaker than those withleven, so it was decided to first solve the PD2 structure in the smaller, primitive unit cell. The basic structure of PD2 with unit-cell parametersa= 23.2,b= 32.3,c= 4.1 Å and space groupPnmmhas been solved in the present study. The structure withc= 8.2 Å will be taken up in the near future. The basic structure contains 55 unique atoms (17 Co/Ni and 38 Al) and is one of the most complex structures solved by electron diffraction. PD2 is built of characteristic 2 nm wheel clusters with fivefold rotational symmetry, which agrees with results from high-resolution electron microscopy images. Simulated electron diffraction patterns for the structure model are in good agreement with the experimental electron diffraction patterns obtained by RED.

Identification of Crystalline Derivatives of Butyrophenones by X-Ray Diffraction: Examination of Pure Compounds and Active Substances in Pharmaceutical Formulations

1971 ◽  
Vol 54 (6) ◽  
pp. 1406-1419
Author(s):  
E Okkerse ◽  
A De Leenheer ◽  
A Heyndrickx
Keyword(s):  
Diffraction Data ◽  
Pharmaceutical Formulations ◽  
Dosage Forms ◽  
X Ray Diffraction ◽  
Photographic Recording ◽  
X Ray ◽  
Pure Compounds ◽  
Diffraction Patterns ◽  
Derivatives Of ◽  
Active Substances

Abstract Isolation and crystallization procedures have been developed for butyrophenones as free substances and from pharmaceutical formulations, namely ampoules, coated tablets, drops, and tablets. Crystallization as free bases, picrates, picrolonates, chlorhydrates, bromates, sulfates, and phosphates was attempted for all compounds. For the crystalline derivatives, the X-ray diffraction data were obtained by the Debye-Scherrer powder technique with photographic recording. The products have been classified according to their X-ray data, using “Hanawalt’s three strongest lines index” and the “innermost line index” systems. The butyrophenones could be identified with certainty by direct comparison of the X-ray diffraction patterns of compounds isolated from dosage forms with reference patterns.

Structural Disorder and Thermal Dilatation Behavior in Cr-Doped Mullite

1994 ◽  
Vol 346 ◽  
Author(s):  
M.P. Villar ◽  
J.M. Geraldia ◽  
L. Gago-Duport
Keyword(s):  
Thermal Expansion ◽  
Diffraction Data ◽  
Chromium Content ◽  
Sol Gel ◽  
Structural Disorder ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
X Ray ◽  
Anisotropic Expansion ◽  
Thermal Dilatation

ABSTRACTLattice parameters of some different chromium-doped mullites obtained by a sol-gel route and sintered at 1650° C have been determined from X-Ray Diffraction data as a function of both temperature and Cr contents. Profile refinements on the X-ray diffraction diagrams have been carried out, showing that, at temperatures between 800° and 1535° C, an anisotropic thermal expansion takes place for the a and b lattice parameters of the Cr-doped mullite. We show that this anisotropic expansion is dependent on the temperature increase and the chromium content for the different compositions of the mullite crystals.

Synthesis, crystal structure, and X-ray diffraction data of lithium m-phenylenediamine sulfate Li2(C6H10N2)(SO4)2

2021 ◽  
pp. 1-5
Author(s):  
Junyan Zhou ◽  
Congcong Chai ◽  
Munan Hao ◽  
Xin Zhong
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Structural Phase ◽  
Measured Temperature ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Anisotropic Expansion ◽  
Diffraction Patterns

A new organic–inorganic hybrid lithium m-phenylenediamine sulfate (LPS), Li2(C6H10N2)(SO4)2, was synthesized under aqueous solution conditions. The X-ray powder diffraction study determined that the title compound crystallized in a monoclinic system at 300 K, with unit-cell parameters a = 7.8689(6) Å, b = 6.6353(5) Å, c = 11.8322(10) Å, β = 109.385(3) °, V = 582.77(8) Å3. Indexing of the diffraction patterns collected from 100 to 600 K reveals that LPS has no structural phase transition within the measured temperature range, and the volume expansion coefficient is approximately 2.79 × 10−5 K−1. The crystal structure was solved based on the single-crystal diffraction data with space group P21/m. Lithium and SO42− are found to form quasi-two-dimensional anti-fluorite [LiSO4] layers stacking along the c-axis, with m-phenylenediamine molecules inserted in the anti-fluorite layers and forming hydrogen bonds to the SO42−. This explains a moderate anisotropic expansion in LPS.

Organic/Inorganic Superlattices: Structural and Optical Properties

1994 ◽  
Vol 351 ◽  
Author(s):  
Shizuo Tokito ◽  
J. Sakata ◽  
Y. Taga
Keyword(s):  
Diffraction Data ◽  
Copper Phthalocyanine ◽  
Inorganic Materials ◽  
Interface Roughness ◽  
Transmission Electron Micrograph ◽  
X Ray Diffraction ◽  
Cross Sectional ◽  
X Ray ◽  
Organic Layers ◽  
Diffraction Patterns

ABSTRACTA new class of superlattices consisting of alternating layers of organic and inorganic materials has been prepared from 8-hydroxyquinoline aluminium (Alq), copper phthalocyanine (CuPc), 3,4,9,10-perylenetetracarboxylic diimide (PTCDI) and MgF2 by molecular beam deposition. Small-angle x-ray diffraction data and cross-sectional transmission electron micrograph of the superlattices reveal that the superlattices have layered structure throughout the entire stack. From comparison of the x-ray diffraction patterns, it is found that the interface roughness between organic and MgF2 layers depends on the materials for organic layers. High-angle x-ray diffraction data indicate that there is a structural ordering in the CuPc and PTCDI layers. From the optical absorption and photoluminescence measurements, it is found that the exciton energy of Alq shifts to higher energy with decreasing Alq layer thickness.

scholarly journals Single-crystal diffraction data from powder samples via SFX

2014 ◽  
Vol 70 (a1) ◽  
pp. C1449-C1449
Author(s):  
Tao Zhang ◽  
Shifeng Jin ◽  
Yuanxin Gu ◽  
Yao He ◽  
Haifu Fan
Keyword(s):  
Single Crystal ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Monte Carlo Integration ◽  
X Ray Diffraction ◽  
Single Crystal Diffraction ◽  
Single Experiment ◽  
X Ray ◽  
Powder Samples ◽  
Diffraction Patterns

With the serial femtosecond crystallography (SFX) [1] using hard X-ray free-electron laser as light source, it is possible to obtained three-dimensional single-crystal diffraction data from powder samples consisting of submicron crystal grains. This offers two advantages. First, complicated crystal structures far beyond the ability of powder X-ray diffraction analysis now can be solved easily; second, mixtures of two or more crystalline components can be examined in a single experiment. The percentage of each component can be determined accurately and the crystal structure of them can be solved readily. Simulating calculations were performed with a mixture of two different kinds of zeolites. The program suite CrystFEL [2] was used for simulating SFX diffraction patterns, diffraction indexing and Monte-Carlo integration of diffraction intensities. The program suite SHELX [3] was used for structure determination. Satisfactory results have been obtained and will be discussed in detail.

X-RAY DIFFRACTION DATA FOR ALKALI DITHIONATES

1963 ◽  
Vol 41 (2) ◽  
pp. 219-223 ◽  
Author(s):  
D. W. Larson ◽  
A. B. VanCleave
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Diffraction Patterns ◽  
Unit Cell Dimensions

X-Ray powder diffraction patterns have been recorded for the alkali dithionates and for barium and ammonium dithionate. The patterns have been indexed and unit cell dimensions determined for lithium dithionate dihydrate, sodium dithionate (anhydrous), and rubidium dithionate. Previously determined cell dimensions have been confirmed in other cases.

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