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  2. Fajans' rules - Wikipedia

    en.wikipedia.org/wiki/Fajans'_rules

    The "size" of the charge in an ionic bond depends on the number of electrons transferred. An aluminum atom, for example, with a +3 charge has a relatively large positive charge. That positive charge then exerts an attractive force on the electron cloud of the other ion, which has accepted the electrons from the aluminum (or other) positive ion.

  3. Pauling's rules - Wikipedia

    en.wikipedia.org/wiki/Pauling's_rules

    For typical ionic solids, the cations are smaller than the anions, and each cation is surrounded by coordinated anions which form a polyhedron.The sum of the ionic radii determines the cation-anion distance, while the cation-anion radius ratio + / (or /) determines the coordination number (C.N.) of the cation, as well as the shape of the coordinated polyhedron of anions.

  4. Pauling's principle of electroneutrality - Wikipedia

    en.wikipedia.org/wiki/Pauling's_principle_of...

    Using the electroneutrality principle the assumption is made that the Co-N bond will have 50% ionic character thus resulting in a zero charge on the cobalt atom. Due to the difference in electronegativity the N-H bond would 17% ionic character and therefore a charge of 0.166 on each of the 18 hydrogen atoms.

  5. Cation-anion radius ratio - Wikipedia

    en.wikipedia.org/wiki/Cation-anion_radius_ratio

    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 ...

  6. Oxidation state - Wikipedia

    en.wikipedia.org/wiki/Oxidation_state

    Conceptually, the oxidation state may be positive, negative or zero. Beside nearly-pure ionic bonding, many covalent bonds exhibit a strong ionicity, making oxidation state a useful predictor of charge. The oxidation state of an atom does not represent the "real" charge on that atom, or any other actual atomic property.

  7. Crystal structure prediction - Wikipedia

    en.wikipedia.org/wiki/Crystal_structure_prediction

    Crystal structure prediction (CSP) is the calculation of the crystal structures of solids from first principles. Reliable methods of predicting the crystal structure of a compound, based only on its composition, has been a goal of the physical sciences since the 1950s. [ 1 ]

  8. Ionization energy - Wikipedia

    en.wikipedia.org/wiki/Ionization_energy

    Ionization energy trends plotted against the atomic number, in units eV.The ionization energy gradually increases from the alkali metals to the noble gases.The maximum ionization energy also decreases from the first to the last row in a given column, due to the increasing distance of the valence electron shell from the nucleus.

  9. Born–Landé equation - Wikipedia

    en.wikipedia.org/wiki/Born–Landé_equation

    The ionic lattice is modeled as an assembly of hard elastic spheres which are compressed together by the mutual attraction of the electrostatic charges on the ions. They achieve the observed equilibrium distance apart due to a balancing short range repulsion.