#757 A Bug in Crystallography Section

[Amir]

Hi,
I am trying to build Faujasite crystal structure (a type of zeolite) using Avogadro. The problem is that after I put the fractional coordinates from "International Zeolite Association" website in the software and hit the "fill unit cell" under the "Crystallography" toolbar, the structure shown is not as it is supposed to be.

Here is the link that I used for fractional coordinates:
http://izasc-mirror.la.asu.edu/fmi/xsl/IZA-SC/mat_xrd.xsl?-db=crystal_data&-lay=web&-recid=62&-find=

And here is the proper (exact) structure of this zeolite:
http://izasc-mirror.la.asu.edu/fmi/xsl/IZA-SC/ftc_fw.xsl?-db=Atlas_main&-lay=fw&STC=FAU&-find

I would really appreciate it if you would kindly find what the problem is.

Thank you,

[Geoff Hutchison]

I don't think this will enter a space group, so the "Fill Unit Cell" won't work because it won't generate the symmetric analogues.

All of the IZA structures should be pre-entered under File -> Import -> Crystal and then browse to the "zeolite" folder.

[Amir]

Thank you so much for your reply, it helped a lot.