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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.
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.
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.
The geometry of the unit cell is defined as a parallelepiped, providing six lattice parameters taken as the lengths of the cell edges (a, b, c) and the angles between them (α, β, γ). The positions of particles inside the unit cell are described by the fractional coordinates ( x i , y i , z i ) along the cell edges, measured from a reference ...
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 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 translational invariance of a crystal lattice is described by a set of unit cell, direct lattice basis vectors (contravariant [1] or polar) called a, b, and c, or equivalently by the lattice parameters, i.e. the magnitudes of the vectors, called a, b and c, and the angles between them, called α (between b and c), β (between c and a), and γ (between a and b).
The unit cells are specified according to six lattice parameters which are the relative lengths of the cell edges (a, b, c) and the angles between them (α, β, γ), where α is the angle between b and c, β is the angle between a and c, and γ is the angle between a and b.