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Chemistry Forums for Students => Inorganic Chemistry Forum => Topic started by: darkdevil on December 10, 2016, 11:34:42 AM

Title: Software for drawing crystal structures
Post by: darkdevil on December 10, 2016, 11:34:42 AM

Hi folks,
I just wonder if there are any chemistry drawing software to draw a general structure of a crystal?

What I am working on is Organo-Lead perovskite with ABX₃ structure. I just need two pictures showing a general structure of two phases (the tetragonal and the orthorhombic phase) . I know the bond angles of the different position of the bondings but I cannot download the .cif crystal information from the paper as their crystal database needs to pay for registration. I only need a very SIMPLE structures of the two phases. Can chemdraw/ Avagagro do that? I tried to draw with ChemDraw and Chem3D but the crystals looked so ugly.

Any help or suggestion would be greatly appreciated!!! Thanks!!

Title: Re: Software for drawing crystal structures
Post by: AWK on December 10, 2016, 12:30:03 PM

Mercury is a part of CSD database, but also public domain program (3.9 for Windows, Mac and Linux)