Is there any website where I can find 2theta(/theta) values for peaks generated by minerals? Given that the sample mineral composition is not well known.
Thank you
Generally peaks for mineral phases will be listed by d-spacing rather than by 2-theta, since the 2-theta value is wavelength dependant. So a peak list of quartz gathered by Cu anode tube will have different values to a peak list from a Co anode tube. The d-spacings will be invariant. If you use a peak list of 2-theta values then be sure that it is for the correct anode.
A good one, if you can find a copy, is Chao 1969 2theta (Cu) Table for Common Minerals, Carlton University Department of Geology, Geological Paper 69-2.
The webmineral pages are also quite useful. Link below
http://webmineral.com/MySQL/xray.php
Generally peaks are not reported randomly. Several structures are reported and collected in a database. For instance you can use Match Crystal Impact program and examine if your pattern fits to any given sample reported in Match's database.
http://www.crystalimpact.com/match/
ICDD Powder diffraction file (PDF) is widely used for identification of peaks. It may not be available freely on web due to licence issues but available with most of the crystallographic labs. It will be more authentic for a researcher to report anywhere the peak data obtained from PDFs.
Also check out: http://rruff.info/about/about_software.php#
http://rruff.geo.arizona.edu/AMS/amcsd.php
Generally peaks for mineral phases will be listed by d-spacing rather than by 2-theta, since the 2-theta value is wavelength dependant. So a peak list of quartz gathered by Cu anode tube will have different values to a peak list from a Co anode tube. The d-spacings will be invariant. If you use a peak list of 2-theta values then be sure that it is for the correct anode.
A good one, if you can find a copy, is Chao 1969 2theta (Cu) Table for Common Minerals, Carlton University Department of Geology, Geological Paper 69-2.
The webmineral pages are also quite useful. Link below
http://webmineral.com/MySQL/xray.php
You can also try this website: http://www.crystallography.net for free. This is a good alternative to the ICDD Powder Diffraction files.
Totally agree with Dr. Jayan and Dr. Sher.
I use HighScore Plus from Panalytical, with PDF2 and also with COD database, that is free. Maybe the COD database could be installed in free-software.
If nothing helps, try to find a similar pattern from the mineral that you are studying on good Journals, such as Acta Crystallographica.
Thank you all!
Yes I am using Cu anode and looking for free data search, Since Jade7 could not exactly find it
You can use Crystallography open database for this purpose
http://www.crystallography.net/
and using crystal impact diamond for opening the CIF file
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