晶胞unit cell.ppt

Unit Cells * * * Crystal Unit Cell The atomic order in crystalline solids indicates that small groups of atoms form a repetitive pattern. Unit Cell For the facecentered cubic crystal structure: (a) a hard sphere unit cellrepresentation, (b) a reduced-sphere unit cell,and (c) an aggregate of many atoms. (Figure c adapted from W. G.Moffatt, G. W. Pearsall,and J. Wulff, The Structureand Properties of Materials, Vol. I, Structure, p. 51. Copyright ? 1964 byJohn Wiley Sons, NewYork. Reprinted by permission of John Wiley Sons, Inc.) Unit Cell The relationship between crystal and unit cell is: The crystal can be seen as arranged no gap and ordered by a large number of unit cells. Unit Cell Unit Cell Thus, in describing crystal structures, it is often convenient to subdivide the structure into small repeat entities called unit cells. Unit cells for most crystal structures are parallelepipeds or prisms having three sets of parallel faces; one is drawn within the aggregate of spheres, which in this case happens to be a cube. parallelepiped Unit Cell simple cubic face-centered cubic body-centered cubic The three typically structural types of cubic unit cells Types of Unit Cell Symmetry A unit cell is chosen to represent the symmetry of thecrystal structure, wherein all the atom positions in the crystal may be generated by translations of the unit cell integral distances along each of its edges. Thus, the unit cell is the basic structural unit or building block of the crystal structure and defines the crystal structure by virtue of its geometry and the atom positions within. Convenience usually dictates that parallelepiped corners coincide with centers of the hard sphere atoms. Symmetry Furthermore, more than a single unit cell may be chosen for a particular crystal structure; however, we generally use the unit cell having the highest level of geometrical symmetry. Symmetry Calculation of Unit Cell body-centered:1 face-centered:1/2 vertex:1/8 edge:1/4 1 2 4