ANALYSIS OF A MIXTURE OF MINERALS - SIMULATION

Last Update 01/ 5/ 2018

in English/ in Esperanto/ in Portuguese

Powder Method, X-ray Diffraction
You are invited to use the Hanavalt1 method to identify the sample components through the diffractogram on the figure, in blue. A mouse move action over a diffractogram peak of the sample will show the diffraction angle  in blue and the relative intensity  in this simulation I = peak height and background I'=1.
Table-A shows the number of each diffracted ray in brackets in decreasing order of relative intensity I/I' and the distance d in Angstrom (1 A=10-10 m) between crystallographic planes "rich in atoms"2 on the sample3. A mouse drag action on the green square on table-A will show other sections of the table. X-ray with wavelength equal to 1,5418 Angstrom4 was used in this simulation.
Table-B shows six distances d as defined above in decreasing order of relative intensity I/I' for each standard5, respectively on each line on page 1. If one of the 10 standards in the page has d distances matching with the sample, a click on the line will change the line color from gray to red and will display the complete set of d distances of the selected standard on table-C organized as in table-A and will also display the difractogram of the standard in black. A mouse move action over a peak on the standard difractogram will show the angle  of the diffracted ray and the relative intensity in black. Click on button V to see next page of standards, until page 11. To return to the previous page click on button with inverted V. If there is no standard matching with the sample in one page it will be necessary to search in another page on table-B.
A new access to this page Analysis of a Mixture of Minerals - Simulation will present a sample with another different mixture of minerals.

The simulator on this page considers each standard as a pure material in perfect crystals and each sample as a mixture of 2 pure standards each one with perfect crystals. This explains why the diffractograms here simulated have peaks as simple straight-line segments of one dimension, this does not occur in mineral nature on planet Earth.

Exercises
1) Write the chemical formulas and names of the minerals present in the sample, respectively.
2) What is the metal on the anode of a x-rays source with wavelenght 1.5418 Angstrom?
3) What is the metal on the filter used for x-rays with wavelenght 1.5418 Angstrom?
4) What is the electron accelerating voltage in order to have x-rays with wavelenght 1.5418 Angstrom?

References
1. HANAWALT, J. D,. Manual Search/Match Methods for Powder Diffraction in 1986, Powder Diffraction, Vol 1, Issue 1, March 1986.
2. BRAGG, W.H.and BRAGG, W.L., The Reflection of x-rays by crystals, Proc. R. Soc. Lond., A 88 (605), 428-38, 1913.
3. AZAROFF, L.V. and BUERGER, M.J., The Powder Method in X-ray Christallography, McGraw-Hill, New York, 1958.
4. STOUT, G.H. and JENSEN, L.H., X-ray Structure Determination, Macmillan, London, 1968.
5. BERRY, L.G.(Editor), Selected Powder Diffraction Data for Minerals, Joint Commitee on Powder Difftraction Standards, Philadelphia, 1974
 
 


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Table of subjects.
Presentation
Chemistry Analytical Chromatography
Elemental organic analysis
Volumetric analysis, simulation
Crystallography 3 fold screw axis
4 fold inversion axis on tetrahedron
5 fold rotation axis absent in crystallography
Analysis of a mixture of minerals - simulation
Binary axis and reflection plane in stereographic projection
Bravais lattices
c2mm
c2mm Unit cell origin hunter
Conic sections under symmetry operators
Converting from spherical coordinates to stereographic projection
Crystal lattice and unit cell
Determination of unit cell
Elements of symmetry in action - animation
Elements of symmetry in action - cube game
Elements of symmetry in action - dodecahedron game
Elements of symmetry in action - icosahedron game
Elements of symmetry in action - octahedron game
Elements of symmetry in action - tetrahedron game
Ewald sphere and crystal measurements
Extinctions
Five classes in the cubic system
Five classes in the rhombohedral system
From tetrahedron to prism
Gnomonic projection
Improper symmetry axis
Miller indices
Miller indices - animation
Miller indices - cube game
Miller indices - octahedron game
Miller indices - rhombic dodecahedron game
Miller indices - tetrahedron game
Mirror plane
Mirror planes and Miller indices game - tetrahedron
Octahedral and tetrahedral hole
Orientations of the cube
p2gg
p2mm
Plane symmetry groups
Question on point group
Rotation axis in octahedron and Werner compounds
Rotation axis on tetrahedron and organic molecules
Rotation of a cube vertex
Rotation of objects about an arbitrary axis
Rotation of the parallel and stereographic projections of the cube
Rotation of the stereographic and parallel projection of the cube III
Seven faces in stereographic projection
Seven classes in the hexagonal system
Seven classes in the tetragonal system
Six elements of symmetry in seven orientations
Solid and aqueous sodium chloride, NaCl
Spherical projection of the octahedron
Stereographic projection
Stereographic projection of six polyhedra in different orientations
Straight line equations and symmetry elements
Symmetry, 2 fold axis
Symmetry, 2, 3 and 6 fold axis in benzene
Symmetry, 3 fold axis in the cube
Symmetry, 4 fold axis in the cube
Symmetry, 4 fold axis in the unit cell of gold
Symmetry elements and Miller indices game
Symmetry elements and Miller indices game - octahedron
Symmetry in art and in crystallography
Three classes in the monoclinic system
Three classes in the orthorhombic system
Twin crystals
Two classes in the triclinic system
Unit cell in hexagonal net
General Butane conformations
Density
Electrochemical cell
Ethane conformations
Oxidation and reduction
Resources of chemical-ICT: water, health and symmetry
Solid and liquid gold