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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.
The radius ratio rule defines a critical radius ratio for different crystal structures, based on their coordination geometry. [1] The idea is that the anions and cations can be treated as incompressible spheres, meaning the crystal structure can be seen as a kind of unequal sphere packing .
According to the radius ratio rule, this structure is more likely to be formed if the cation is somewhat smaller than the anion (a cation/anion radius ratio of 0.414 to 0.732). The interatomic distance (distance between cation and anion, or half the unit cell length a ) in some rock-salt-structure crystals are: 2.3 Å (2.3 × 10 −10 m) for ...
C. Cation-anion radius ratio; Cauchy–Born rule; Cleavage (crystal) Close-packing of equal spheres; Cocrystal; Collaborative Computational Project Number 4
For all these radius ratios a compact packing is known that achieves the maximum possible packing fraction (above that of uniformly-sized discs) for mixtures of discs with that radius ratio. [9] All nine have ratio-specific packings denser than the uniform hexagonal packing, as do some radius ratios without compact packings.
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 .
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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 ]