3d - What are the lattice vectors for a truncated octahedral box? - Stack Overflow

admin2025-04-17  2

A cubic or orthorhobmic box would have lattice vectors of the general form [(x,0,0),(0,y,0),(0,0,z)]. What would be the equivalent for a truncated octahedron?

I have found one source that suggests it is [(d,0,0),(-d/3,2/3*sqrt(2)*2,0),(-d/3,-1/3*sqrt(2)*d,-1/3*sqrt(6)*d)] but I can't find any textbook or specific source to confirm it, and I have seen other sources show slightly different vectors forms, with similar levels of uncertainty.

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