I am collecting a database of perovskite materials and could not decide if $\ce{LiNbO3}$ is categorized as perovskite or not. $\ce{LiNbO3}$ has been identified as a perovskite [1] as well as non-perovskite [2 , appendix] in literature. Which is correct? Usually the structure type of some compounds are written as ($\ce{LiNbO3}$-type or LN-type), are these perovskites or not?

Relevant publications are also appreciated.


Goldschmidt tolerance factor of $\ce{LiNbO3}$: 0.748 (should appr. be between 0.8 and 1.1 to be perovskite)

Tau factor of $\ce{LiNbO3}$(as proposed here): 8.678 (should be less than 4.18 to be perovskite. Tau factor is proven to be more accurate than tolerance factor)

These tolerance factors indicate $\ce{LiNbO3}$ should be non-perovskite, however, I found some other materials such as $\ce{BiSrCr2O6}$ that pass tolerance factor tests but still form LN-type structure. This is where the confusion comes :(

  • $\begingroup$ 2 doesn't specifically say that it is a non perovskite $\endgroup$ – PJ The MADAO Jun 11 '20 at 13:57
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    $\begingroup$ It may have several different known phases... $\endgroup$ – Greg Jun 11 '20 at 13:57
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    $\begingroup$ @Pj30 They have reported a database of perovskites and non-perovskites, as you would find here(advances.sciencemag.org/highwire/filestream/210992/…). In this database LiNbO3 was categorized as non-perovskite. $\endgroup$ – Achintha Ihalage Jun 11 '20 at 14:00
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    $\begingroup$ @AchinthaIhalage got it $\endgroup$ – PJ The MADAO Jun 11 '20 at 14:05
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    $\begingroup$ I guess the real question is how distorted from real Perovskite (the actual mineral) is still a perovskite (general name for similar materials). Orthorhombic and tetragonal at least maintain right angles, trigonal is a distortion along the body diagonal so the sides are no longer rectilinear. What is 'correct'? Strictly speaking, only a true cubic material is Perovskite-like. $\endgroup$ – Jon Custer Jun 11 '20 at 21:20

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