Kröger–Vink notation

Kröger–Vink notation is a type of notation used to describe crystallographic defects (parts of a crystal that do not match its "normal" crystal structure), and chemical equations involving those defects. This notation is most commonly used for salt crystals.

The notation uses the form MC
S
:

  • M is the symbol for what is actually found in the defect. This is normally the atomic symbol for a chemical element, but can also be some special species:
  • S is the symbol for the site of the defect. This is normally the chemical symbol of the element expected to be in that site, or a lower-case i is used to mark an interstitial site.
  • C is the electrical charge of the defect compared to the normal crystal. Dots are is used when the defect has a higher (or less negative) charge, an X is used when the defect has the same charge, and primes are used when the defect has a lower (or more negative) charge.

Examples

This is the equation a Frenkel defect in zinc sulfide:

Zn×
Zn
+ S×
S
Zn
i
+ v
Zn
+ S×
S

In this equation, a zinc ion moves from a zinc site (Zn×
Zn
) to an empty interstitial site (Zn
i
), leaving a vacancy behind (v
Zn
). The sulfide ions do not move. The charge of the zinc ion is +2, so the charge at the interstitial site is increased by 2 () and the charge at the zinc site is decreased by 2 (). The sulfide ions do not change sites in this type of defect.

Amethyst is a type of quartz with iron impurities. The purple colour of amethyst is caused by oxidation of these iron impurities to the +4 oxidation state.[1] A simplified equation for this is:

Fe
Si
Fe
Si
+ e

Before oxidation, the Fe3+ substitutional defect has a charge of -1 compared to the Si4+ that would normally be at that site (Fe
Si
). Oxidation brings the iron atom to the same charge as a silicon atom (Fe
Si
) and releases an electron into the crystal (e).

References

  1. Depianti, Janaina Bastos; Souza, Danilo Oliveira de; Pollastri, Simone; Magalhães, Marcus Vinícius Dutra de; Pinheiro, Maurício Veloso Brant; Krambrock, Klaus (2026). "Iron oxidation states and their influence on amethyst color". Radiation Physics and Chemistry. 239 113406. Bibcode:2026RaPC..23913406D. doi:10.1016/j.radphyschem.2025.113406.

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