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In chemistry, the lattice energy is the energy change upon formation of one mole of a crystalline ionic compound from its constituent ions, which are assumed to initially be in the gaseous state. It is a measure of the cohesive forces that bind ionic solids.
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 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.
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–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 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).
Interstitial Atomic diffusion across a 4-coordinated lattice. Note that the atoms often block each other from moving to adjacent sites. As per Fick’s law, the net flux (or movement of atoms) is always in the opposite direction of the concentration gradient. H + ions diffusing in an O 2-lattice of superionic ice