How to draw crystal structure


#1

i want to draw ball and stick crystal structure of BaYF5 tetragonal crystal structure with space group - P421-m (113) can anyone help me


#2

Hello @Suman_Devi,

You can see the BaYF5 structures in our database here: https://materialsproject.org/#search/materials/{“reduced_cell_formula”%3A"BaYF5"}

It looks like we don’t have a structure for that specific space group. However, for any of the structures we do have, you can either visualize them on our website or download the CIF file to visualize yourself in a program of your choice (e.g. VESTA, Jmol, CrystalMaker, etc.)

Best,

Matt


#3

@mkhorton thanks for replying… my XRD matches with (113) space group having tetrgonal crystal structure, is it valid if i consider any other structure (for BaYF5) and analysis for my paper work … second how to generate CIF file for unknow structure ???