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I wanted to calculate how many interstitial sites (tetrahedral and octahedral) are present in a simple unit cell and their location and radius. I am guessing they are at the center of unit cell and at the center of each edge. But can someone please confirm it and explain this in detail? Thanks

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  • $\begingroup$ Since a 'unit cell' is not a uniquely defined thing, you should be careful. For example, a Wigner-Seitz unit cell will have a lattice atom at the center, which means that can't be an interstitial site as well. $\endgroup$ – Jon Custer Sep 6 '16 at 14:13

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