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Author Topic: building structure  (Read 3120 times)

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Offline meena

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building structure
« on: February 27, 2016, 14:42 »
How to build the structure of Fe3O4 in ATK tool..

Thanks & Regards
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Offline Daniele Stradi

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Re: building structure
« Reply #1 on: February 29, 2016, 10:13 »
You can import Crystallographic Information File (*.cif) directly into VNL:
http://docs.quantumwise.com/tutorials/vnl_io_import.html

The relevant*.cif file for magnetite can be downloaded from the Crystallography Open Database, for example:
http://www.crystallography.net/cod/1011032.html

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Offline Anders Blom

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Re: building structure
« Reply #2 on: February 29, 2016, 13:01 »
Or use the Crystal Builder, if you know the spacegroup, lattice parameters, and Wyckoff positions of the atoms.
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