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An octahedron may then form with a radius ratio greater than or equal to 0.414, but as the ratio rises above 0.732, a cubic geometry becomes more stable. This explains why Na + in NaCl with a radius ratio of 0.55 has octahedral coordination, whereas Cs + in CsCl with a radius ratio of 0.93 has cubic coordination.
In condensed matter physics and inorganic chemistry, the cation-anion radius ratio can be used to predict the crystal structure of an ionic compound based on the relative size of its atoms. It is defined as the ratio of the ionic radius of the positively charged cation to the ionic radius of the negatively charged anion in a cation-anion compound.
In inorganic chemistry, Fajans' rules, formulated by Kazimierz Fajans in 1923, [1] [2] [3] are used to predict whether a chemical bond will be covalent or ionic, and depend on the charge on the cation and the relative sizes of the cation and anion. They can be summarized in the following table:
r B is the radius of the B cation. r O is the radius of the anion (usually oxygen). In an ideal cubic perovskite structure, the lattice parameter (i.e., length) of the unit cell (a) can be calculated using the following equation: [ 1 ]
Ionic radius, r ion, is the radius of a monatomic ion in an ionic crystal structure. Although neither atoms nor ions have sharp boundaries, they are treated as if they were hard spheres with radii such that the sum of ionic radii of the cation and anion gives the distance between the ions in a crystal lattice .
Critical radius is the minimum particle size from which an aggregate is thermodynamically stable. In other words, it is the lowest radius formed by atoms or molecules clustering together (in a gas , liquid or solid matrix) before a new phase inclusion (a bubble, a droplet or a solid particle) is viable and begins to grow.
Each corner atom touches the center atom. A line that is drawn from one corner of the cube through the center and to the other corner passes through 4r, where r is the radius of an atom. By geometry, the length of the diagonal is a √ 3. Therefore, the length of each side of the BCC structure can be related to the radius of the atom by
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.