The unit cell completely describes the structure of the solid, which can be regarded as an almost endless repetition of the unit cell.
The volume of the unit cell is readily calculated from its shape and dimensions. This calculation is particularly easy for a unit cell that is cubic. In the case of the body-centered cubic unit cell, the atoms lying along the main diagonal of the cube are in contact with each other. Thus the diagonal of the unit cell has a length of 4 r, where r is the radius of an atom.
Atoms, of course, do not have well-defined bounds, and the radius of an atom is somewhat ambiguous. In the context of crystal structures, the diameter (2 r) of an atom can be defined as the center-to-center distance between two atoms packed as tightly together as possible. This provides an effective radius for the atom and is sometime called the atomic radius.
A more challenging task is to determine the number of atoms that lie in the unit cell. As described above, an atom is centered on each corner and in the middle of the unit cell. The atom at the center of the unit cell lies completely within the unit cell. The atoms located on the corners, however, exist partially inside the unit cell and partially outside the unit cell. In determining the number of atoms inside the unit cell, one must count only that portion of an atom that actually lies within the unit cell.
The density of a solid is the mass of all the atoms in the unit cell divided by the volume of the unit cell.
Number of Atoms in BCC Unit Cell
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