scholarly journals The structure of cyanite, Al 2 SiO 5

1928 ◽  
Vol 119 (781) ◽  
pp. 132-146 ◽  
Keyword(s):  
Special Interest ◽  
Unit Cell ◽  
Direction Parallel ◽  
Space Groups ◽  
Triclinic System ◽  
Naturally Occurring ◽  
Points Of View ◽  
Suggested Structure

The three naturally occurring forms of Al 2 SiO 5 have been examined by Mark and Rosbaud, who have determined the space-groups of the orthorhombic forms (andalusite and sillimanite) and the unit cell of cyanite, which belongs to the pinacoidal class of the triclinic system. The present paper contains an account of the determination of the arrangement of the atoms in cyanite. The analysis of this structure is interesting from two points of view. In the first place, it is of special interest to the mineralogist because it is probably the most striking example of a crystal which exhibits different degrees of hardness in different directions on the same face. The measured values of the hardness on the (100) face of cyanite are 4-5 in a direction parallel to the c axis and 6-7 in a direction parallel to the edge common to the (100) and (001) faces. Any suggested structure must, of course, explain this unusually large variation.

Symmetry breaking in convergent-beam diffraction

1989 ◽  
Vol 47 ◽  
pp. 480-481
Author(s):  
D.J. Eaglesham
Keyword(s):  
Symmetry Breaking ◽  
Point Group ◽  
X Ray Diffraction ◽  
Multiple Diffraction ◽  
Space Groups ◽  
Atomic Displacements ◽  
Small Probe ◽  
Phase Sensitive ◽  
Convergent Beam

Convergent Beam Electron Diffraction is now almost routinely used in the determination of the point- and space-groups of crystalline samples. In addition to its small-probe capability, CBED is also postulated to be more sensitive than X-ray diffraction in determining crystal symmetries. Multiple diffraction is phase-sensitive, so that the distinction between centro- and non-centro-symmetric space groups should be trivial in CBED: in addition, the stronger scattering of electrons may give a general increase in sensitivity to small atomic displacements. However, the sensitivity of CBED symmetry to the crystal point group has rarely been quantified, and CBED is also subject to symmetry-breaking due to local strains and inhomogeneities. The purpose of this paper is to classify the various types of symmetry-breaking, present calculations of the sensitivity, and illustrate symmetry-breaking by surface strains.CBED symmetry determinations usually proceed by determining the diffraction group along various zone axes, and hence finding the point group. The diffraction group can be found using either the intensity distribution in the discs

Optimization of the selection of analysis methods for the determination of naturally occurring radionuclides

Kerntechnik ◽  
2008 ◽  
Vol 73 (3) ◽  
pp. 118-121
Author(s):  
T. Heinrich ◽  
L. Funke ◽  
M. Köhler ◽  
U.-K. Schkade ◽  
F. Ullrich ◽  
...  
Keyword(s):  
Naturally Occurring ◽  
Analysis Methods ◽  
Naturally Occurring Radionuclides ◽  
Selection Of

Determination of the structure of bis(propyldithiocarbamate)nickel(II)

1990 ◽  
Vol 55 (4) ◽  
pp. 1010-1014 ◽  
Author(s):  
Jiří Kameníček ◽  
Richard Pastorek ◽  
František Březina ◽  
Bohumil Kratochvíl ◽  
Zdeněk Trávníček
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Planar Configuration ◽  
Compound C ◽  
Heavy Atom Method

The crystal and molecular structure of the title compound (C8H16N2NiS4) was solved by the heavy atom method and the structure was refined anisotropically to a final R factor of R = 0.029 (wR = 0.037) for 715 observed reflections. The crystal is monoclinic, space group P21/c with a = 948.3(2), b = 776.9(2), c = 1 167.4(2) pm, β = 125.14(2)°, Z = 2. The molecule contains two four-membered NiSCS rings of approximately planar configuration with the Ni atom situated at a centre of symmetry. The molecules are arranged in chains along the c-axis of the unit cell.

Comparative Study for the Assay of Plant Derived Chemicals in Pharmaceutical Formulation Using Methods Dependent on Factorized Spectra

2021 ◽  
Author(s):  
Nesma M Fahmy ◽  
Adel M Michael
Keyword(s):  
Pharmaceutical Formulations ◽  
Pharmaceutical Formulation ◽  
Ternary Mixtures ◽  
Ratio Method ◽  
The Novel ◽  
Naturally Occurring ◽  
Accuracy And Precision ◽  
Validation Parameters ◽  
Significant Difference

Abstract Background Modern built-in spectrophotometer software supporting mathematical processes provided a solution for increasing selectivity for multicomponent mixtures. Objective Simultaneous spectrophotometric determination of the three naturally occurring antioxidants—rutin(RUT), hesperidin(HES), and ascorbic acid(ASC)—in bulk forms and combined pharmaceutical formulation. Method This was achieved by factorized zero order method (FZM), factorized derivative method (FD1M), and factorized derivative ratio method (FDRM), coupled with spectrum subtraction(SS). Results Mathematical filtration techniques allowed each component to be obtained separately in either its zero, first, or derivative ratio form, allowing the resolution of spectra typical to the pure components present in Vitamin C Forte® tablets. The proposed methods were applied over a concentration range of 2–50, 2–30, and 10–100 µg/mL for RUT, HES, and ASC, respectively. Conclusions Recent methods for the analysis of binary mixtures, FZM and FD1M, were successfully applied for the analysis of ternary mixtures and compared to the novel FDRM. All were revealed to be specific and sensitive with successful application on pharmaceutical formulations. Validation parameters were evaluated in accordance with the International Conference on Harmonization guidelines. Statistical results were satisfactory, revealing no significant difference regarding accuracy and precision. Highlights Factorized methods enabled the resolution of spectra identical to those of pure drugs present in mixtures. Overlapped spectra of ternary mixtures could be resolved by spectrum subtraction coupled FDRM (SS-FDRM) or by successive application of FZM and FD1M.

scholarly journals A complicated quasicrystal approximant ∊16 predicted by the strong-reflections approach

2010 ◽  
Vol 66 (1) ◽  
pp. 17-26 ◽  
Author(s):  
Mingrun Li ◽  
Junliang Sun ◽  
Peter Oleynikov ◽  
Sven Hovmöller ◽  
Xiaodong Zou ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Unit Cell ◽  
Space Groups ◽  
Inverse Fourier Transformation ◽  
Transmission Electron ◽  
Structure Factors ◽  
Precession Electron Diffraction ◽  
Density Map ◽  
Electron Density Map ◽  
Good Agreement

The structure of a complicated quasicrystal approximant ∊16 was predicted from a known and related quasicrystal approximant ∊6 by the strong-reflections approach. Electron-diffraction studies show that in reciprocal space, the positions of the strongest reflections and their intensity distributions are similar for both approximants. By applying the strong-reflections approach, the structure factors of ∊16 were deduced from those of the known ∊6 structure. Owing to the different space groups of the two structures, a shift of the phase origin had to be applied in order to obtain the phases of ∊16. An electron-density map of ∊16 was calculated by inverse Fourier transformation of the structure factors of the 256 strongest reflections. Similar to that of ∊6, the predicted structure of ∊16 contains eight layers in each unit cell, stacked along the b axis. Along the b axis, ∊16 is built by banana-shaped tiles and pentagonal tiles; this structure is confirmed by high-resolution transmission electron microscopy (HRTEM). The simulated precession electron-diffraction (PED) patterns from the structure model are in good agreement with the experimental ones. ∊16 with 153 unique atoms in the unit cell is the most complicated approximant structure ever solved or predicted.

Determination of the geometrical configuration of naturally occurring mono-cis-lutein epoxides

1988 ◽  
Vol 27 (2) ◽  
pp. 547-549 ◽  
Author(s):  
Jo´zsef Deli ◽  
Pe´ter Molna´r ◽  
Gyula To´th ◽  
Jo´zsef Szabolcs ◽  
Lajos Radics
Keyword(s):  
Geometrical Configuration ◽  
Naturally Occurring

Unit cell constants of zeolites stabilized by dealumination determination of Al content from lattice parameters

1984 ◽  
Vol 19 (1) ◽  
pp. K1-K3 ◽  
Author(s):  
H. Fichtner-Schmittler ◽  
U. Lohse ◽  
G. Engelhardt ◽  
V. Patzelová
Keyword(s):  
Unit Cell ◽  
Lattice Parameters ◽  
Al Content

Indexing approximants of icosahedral quasicrystals

1999 ◽  
Vol 55 (6) ◽  
pp. 975-983 ◽  
Author(s):  
M. Quiquandon ◽  
A. Katz ◽  
F. Puyraimond ◽  
D. Gratias
Keyword(s):  
Unit Cell ◽  
Dimensional Lattice ◽  
Geometrical Properties ◽  
Actual Model ◽  
Icosahedral Quasicrystals ◽  
Low Dimensional

It is well known that the crystallography of approximants is directly related to that of the parent quasicrystal, once its unit-cell vectors are identified as parallel projections of certain N-dimensional lattice nodes {\bf A}^{i}. Derived here are explicit simple relations for calculating the shear matrices {\boldvarepsilon} and the related crystallographic properties of the corresponding approximants, including diffraction indexing and the determination of the lattice in perpendicular space. Applied to low-dimensional approximants, the derivation shows that the systematic `accidental' extinction rules observed in the pentagonal phases are generic extinctions that are due to the geometrical properties of the projected 1D lattice and are independent of the actual model of the quasicrystal.

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