AMCSD Crystal Structures with JPX Applet

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I used jPOWD from MDI ( and ran a batch conversion of the AMCSD CIF files, in order to create the JPX Applet pages. The CIF files are available at .

If some structures don't look right then either the atom coordinates or the space group symmetry operators in the CIF file were incorrect. Polyhedra may be sometimes be incorrect, because during batch mode they are derived from a fixed range used for the bond calculations (0.2-2.5A). The ionic radii option in the Applet may be unavailable, since most CIF files only list the atoms as neutral atoms. The default display in the Applet uses neutral atom radii. 

For more comments on the usage of the JPX Applet you may also consult Dave Barthelmy's page at

jPOWD is a powerful desktop application for powder XRD simulation and structure display, which also exports interactive webpages that make use of the JPowdApplet and the JPX-Applet. Here is a screenshot of jPOWD's editor, XRD plot and structure display.


jPOWD also does single crystal XRD (Laue, Precession, TEM, Kossel, Stereograms), TEM image powder pattern integration and lots more. It can access webdatabases, ICSD and the ICDD's PDF2 & PDF4 databases.

It also provides an external powder pattern viewer/editor (MDI-Browser) and an even more powerful external structure display program (MDI-SV), which are not shown here.