anyone who help me about XRD results for synthetic jarosite?
i synthesized K-NH4-jarosite mineral under the 90℃ (120h) using morey-type reaction container, and approximately 300mg of the precipitate was recovered.
As for the synthesis process that firstly ammonium sulfate was dissolved in MQ-water and then Fe2+ replace to Fe3+ using 30% hydrogen peroxide. then potassium hydroxide and ammonium sulfate were added, finally, the pH condition adjusted to 1.5 using sulfuric acid.
i want to know about identification of each pick position, respectively.
Hi jo,
Have you tried the jcpds? These links may be useful for you.
http://comptech.compres.us/tools/jcpds/
https://www.google.iq/url?sa=t&source=web&rct=j&url=http://www.icdd.com/&ved=0ahUKEwictY2wzerVAhXEshQKHSPfCs4QFghXMA8&usg=AFQjCNGRW_VGQnb77Az5JA2SCI02BwrN4w
Which contain a colection of jcpds files that may help you with in your work.
In my opinion you may have both K jarosite identified by the peak near 30 (2theta), while the lower peaks between 40-50(2 theta) may indicate the H2O jarosite. You also have different forms of quartz, and ferrosulfide components.
With all my best wishes
For minerals "cheaper" is the free solution AMCSD which contains several structure description of jarosite. However, I also agree with B. Abdul-Hassan that your diffractogramm obviously shows not only one phase. This means you need to identify first the remaining phases since you cannot exclude entirely that jarosite does not exist and you synthesized another more complex phase. To me it sounds surprizing that you should have quartz in your sample except your container was contaminated. For this work the JCPDS or ICDD (not ICSD) would be the moset convinient way since it enables an automated search. Unfortunately, it is commercial, but practically all X-ray powder diffractometers are equiped with a phase identification tool.
For a manual comparison you can use free software like PowderCell or any other simulation software available at CCP14.
http://rruff.geo.arizona.edu/AMS/amcsd.php
http://www.ccp14.ac.uk/
Yours XRD data is matching with with xrd of K-JArosite (little amount of NH4 at the pplace of K may be there).
Attached is the comparative plot of your sample XRD and simulated XRD of K-jarosite (Ref.Mineralogical Magazine, August 2007, Vol. 71(4), pp. 427–441.) If you need anything else please let me know...
Crystal system Hexagonal
Space group R3¯m
Unit-cell dimensions (A˚ ) a = 7.3177(3)
c = 17.534(1)..
Unit cell might be a quick option if you're only interested In cell parameters at this stage:
http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/crush/pub/minp/UnitCell/
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