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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 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. [2]
Born–Haber cycles are used primarily as a means of calculating lattice energy (or more precisely enthalpy [note 1]), which cannot otherwise be measured directly. The lattice enthalpy is the enthalpy change involved in the formation of an ionic compound from gaseous ions (an exothermic process ), or sometimes defined as the energy to break the ...
The following is a list of structure types which appear in the tables above. Regarding the number of atoms in the unit cell, structures in the rhombohedral lattice system have a rhombohedral primitive cell and have trigonal point symmetry but are also often also described in terms of an equivalent but nonprimitive hexagonal unit cell with three ...
IE Li, the first ionization energy of gaseous lithium. B(F–F), the standard enthalpy of atomization (or bond energy) of fluorine gas. EA F, the electron affinity of a fluorine atom. U L, the lattice energy of lithium fluoride. The sum of these enthalpies give the standard enthalpy of formation (Δ f H) of lithium fluoride:
A simple cubic crystal has only one lattice constant, the distance between atoms, but in general lattices in three dimensions have six lattice constants: the lengths a, b, and c of the three cell edges meeting at a vertex, and the angles α, β, and γ between those edges. The crystal lattice parameters a, b, and c have the
The initial stage A. of defect creation, until all excess kinetic energy has dissipated in the lattice and it is back to its initial temperature T 0, takes < 5 ps. This is the fundamental ("primary damage") threshold displacement energy, and also the one usually simulated by molecular dynamics computer simulations.
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]