vectors_from_unitcell

biotite.structure.vectors_from_unitcell(len_a, len_b, len_c, alpha, beta, gamma)

Calculate the three vectors spanning a box from the unit cell lengths and angles.

The return value of this function are the three box vectors as required for the box attribute in atom arrays and stacks.

Parameters:

len_a, len_b, len_cfloat

The lengths of the three box/unit cell vectors a, b and c.

alpha, beta, gammafloat

The angles between the box vectors in radians. alpha is the angle between b and c, beta between a and c, gamma between a and b.

Returns:

boxndarray, dtype=float, shape=(3,3)

The three box vectors. The vector components are in the last dimension. The value can be directly used as box attribute in an atom array.

See also

unitcell_from_vectors

The reverse operation.