Powder X-ray diffraction data of high pressure minerals calculated from structural data are compiled in the following tables. First column gives index, d-spacing and intensity as a text file of Ag tube, 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 in the 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 if you are going to use for other purpoes, 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 Some of structures are estimated from molecular dynamics simulations by Kanzaki (unpublished works).

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The XRD data, pattern and x'tal data of Ca2Al2O5 were wrong. There is a mistake during coordination transformation. I fixed it (2005/07/09). Sorry for this.

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Note that Pbnm is setting #3 of No.62 space group, not #2 as appeared in the crystal data of following table. I will fix them later.

Index

• Elements and alloys
• Alkali halides
• Simple oxides
• anhydrous silicates, aluminates, germanates, titanates ...
• Hydrous silicates and aluminates

Elements and alloys

Alkali halides

Simple oxides

anhydrous silicates, aluminates, germanates, titanates ...

Hydrous silicates and aluminates