Powder X-ray diffraction data, patterns (pdf) and structural data used for the calculations. †
- 2005/06/17 created by Masami Kanzaki.
- Powder X-ray diffraction data of high pressure minerals calculated from structural data are compiled in following tables.
- First column gives index, d-spacing and intensity as a text file, and second colunm gives PDF file of the pattern, and third column gives crystal data as a text file. Reference to original structural data could be found in the title of the 1st or 3rd column text.
- These structural data are used for only present XRD calculations, are far from completion. Sometimes, positions of H are omittd and isothermal factors are not same values of the original references. Use with cautions or see original papers.
- Powder X-ray diffraction data are simulated by RIETAN program written by Dr. Fujio Izumi.
- Some of structures are estimated from molecular dynamics simulations by Kanzaki (unpublished works).
Elements and alloys †
Alkali halides †
Simple oxides, borides, nitrides etc †
anhydrous silicates, aluminates, germanates, titanates ... †
Hydrous silicates, aluminates ... †
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