ANALYSIS OF A MIXTURE OF MINERALS - SIMULATION

Last Update 01/ 5/ 2018

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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.

The figure below is just a screen print of the simulator.

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