The defect structure of congruently melting lithium niobate

Six samples of congruently melting lithium niobate (∼Li0.95Nb1.01O3) have been examined by powder x-ray diffraction for the occurrence of niobium antisite defects (niobium on lithium sites). Contrary to current thinking, we have found no evidence for the occurrence of high concentrations of such defects, which also require the presence of Nb site vacancies. Rather, it was found that the number of antisite defects is close to the minimum that is required to sustain charge neutrality in a model of the type ([Li1−xNbx/5][Nb]O3), where the Nb site is fully occupied.