xrd_pattern

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• Some of structures are estimated from molecular dynamics simulations by Kanzaki (unpublished works).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 ... †