Search results
Results from the WOW.Com Content Network
Unit cell definition using parallelepiped with lengths a, b, c and angles between the sides given by α, β, γ [1]. A lattice constant or lattice parameter is one of the physical dimensions and angles that determine the geometry of the unit cells in a crystal lattice, and is proportional to the distance between atoms in the crystal.
The Born–Landé equation is a means of calculating the lattice energy of a crystalline ionic compound.In 1918 [1] Max Born and Alfred Landé proposed that the lattice energy could be derived from the electrostatic potential of the ionic lattice and a repulsive potential energy term.
The calculated lattice energy gives a good estimation for the Born–Landé equation; the real value differs in most cases by less than 5%. Furthermore, one is able to determine the ionic radii (or more properly, the thermochemical radius) using the Kapustinskii equation when the lattice energy is known.
The hpc lattice (left) and the ccf lattice (right) The principles involved can be understood by considering the most efficient way of packing together equal-sized spheres and stacking close-packed atomic planes in three dimensions. For example, if plane A lies beneath plane B, there are two possible ways of placing an additional atom on top of ...
The Born–Mayer equation is an equation that is used to calculate the lattice energy of a crystalline ionic compound.It is a refinement of the Born–Landé equation by using an improved repulsion term.
Here, a A (1-x) B x is the lattice parameter of the solid solution, a A and a B are the lattice parameters of the pure constituents, and x is the molar fraction of B in the solid solution. Vegard's law is seldom perfectly obeyed; often deviations from the linear behavior are observed. A detailed study of such deviations was conducted by King. [3]
The proper calculation of electrostatic lattice constants has to consider the crystallographic point groups of ionic lattice sites; for instance, dipole moments may only arise on polar lattice sites, i. e. exhibiting a C 1, C 1h, C n or C nv site symmetry (n = 2, 3, 4 or 6). [11]
Some chemistry textbooks [3] as well as the widely used CRC Handbook of Chemistry and Physics [4] define lattice energy with the opposite sign, i.e. as the energy required to convert the crystal into infinitely separated gaseous ions in vacuum, an endothermic process. Following this convention, the lattice energy of NaCl would be +786 kJ/mol.