Abstract
Defect structure models for C-doped non-stoichiometric lithium niobate and lithium tantalate were generally based on the defect model proposed for undoped crystals i.e. Li-site vacancy or Nb-site vacancy descriptions. The atomic radius of C is rC = 135 pm. This work is an extension of the Safaryan theory. A new analytical description has been proposed. It is based on the vibrations of crystal planes. The substitution mechanism of the doped compositions C in LiBO3 crystal is discussed. The mechanism of phase transition due to thermal expansion of crystal is also described.
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