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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 lengths of principal axes/edges, of unit cell and angles between them are lattice constants, also called lattice parameters or cell parameters. The symmetry properties of crystal are described by the concept of space groups. [1] All possible symmetric arrangements of particles in three-dimensional space may be described by 230 space groups.
Another generalization is to calculate the number of coprime integer solutions , to the inequality m 2 + n 2 ≤ r 2 . {\displaystyle m^{2}+n^{2}\leq r^{2}.\,} This problem is known as the primitive circle problem , as it involves searching for primitive solutions to the original circle problem. [ 9 ]
Just as in 1D, the FWHM varies as the inverse of the characteristic size. For example, for a spherical crystallite with a cubic lattice, [2] the factor of 5.56 simply becomes 6.96, when the size is the diameter D, i.e., the diameter of a spherical nanocrystal is related to the peak FWHM by
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.
The concept of lattice energy was originally applied to the formation of compounds with structures like rocksalt and sphalerite where the ions occupy high-symmetry crystal lattice sites. In the case of NaCl, lattice energy is the energy change of the reaction Na + (g) + Cl − (g) → NaCl (s) which amounts to −786 kJ/mol. [2]