Howard, Christopher J., Carpenter, Michael A. (2010) Octahedral tilting in cation-ordered Jahn–Teller distorted perovskites – a group-theoretical analysis. Acta Crystallographica Section B Structural Science, 66 (1) 40-50 doi:10.1107/s0108768109048010
| Reference Type | Journal (article/letter/editorial) | ||
|---|---|---|---|
| Title | Octahedral tilting in cation-ordered Jahn–Teller distorted perovskites – a group-theoretical analysis | ||
| Journal | Acta Crystallographica Section B Structural Science | ||
| Authors | Howard, Christopher J. | Author | |
| Carpenter, Michael A. | Author | ||
| Year | 2010 (February 1) | Volume | 66 |
| Issue | 1 | ||
| Publisher | International Union of Crystallography (IUCr) | ||
| DOI | doi:10.1107/s0108768109048010Search in ResearchGate | ||
| Generate Citation Formats | |||
| Mindat Ref. ID | 187532 | Long-form Identifier | mindat:1:5:187532:8 |
| GUID | 0 | ||
| Full Reference | Howard, Christopher J., Carpenter, Michael A. (2010) Octahedral tilting in cation-ordered Jahn–Teller distorted perovskites – a group-theoretical analysis. Acta Crystallographica Section B Structural Science, 66 (1) 40-50 doi:10.1107/s0108768109048010 | ||
| Plain Text | Howard, Christopher J., Carpenter, Michael A. (2010) Octahedral tilting in cation-ordered Jahn–Teller distorted perovskites – a group-theoretical analysis. Acta Crystallographica Section B Structural Science, 66 (1) 40-50 doi:10.1107/s0108768109048010 | ||
| In | (2010, February) Acta Crystallographica Section B Structural Science Vol. 66 (1) International Union of Crystallography (IUCr) | ||
| Abstract/Notes | Computer-based group-theoretical methods are used to enumerate structures arising inA2BB′X6perovskites, with either rock-salt or checkerboard ordering of theBandB′ cations, under the additional assumption that one of these two cations is Jahn–Teller active and thereby induces a distortion of theBX6(orB′X6) octahedron. The requirement to match the pattern of Jahn–Teller distortions to the cation ordering implies that the corresponding irreducible representations should be associated with the same point in the Brillouin zone. Effects ofBX6(andB′X6) octahedral tilting are included in the usual way. Finally, an analysis is presented of more complex models of ordering and distortion as might lead to the doubling of the long axis of the commonPnmaperovskite, observed in systems such as Pr1 − xCaxMnO3(x≃ 0.5). The structural hierarchies derived in this work should prove useful in interpreting experimental results. | ||
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