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ANSTO Publications Online >
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Journal Articles >
Please use this identifier to cite or link to this item:
http://apo.ansto.gov.au/dspace/handle/10238/2424
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| Title: | Crystal structure of Ln(1/3)NbO(3) (Ln = Nd, Pr) and phase transition in Nd1/3NbO3. |
| Authors: | Zhang, ZM Howard, CJ Kennedy, BJ Knight, KS Zhou, QD |
| Keywords: | Crystal Structure Perovskites Phase Transformations Neutron Diffraction Cations Temperature Dependence |
| Issue Date: | Jun-2007 |
| Publisher: | Elsevier |
| Citation: | Zhang, Z. M., Howard, C. J., Kennedy, B. J., Knight, K. S., & Zhou, Q. D. (2007). Crystal structure of Ln(1/3)NbO(3) (Ln = Nd, Pr) and phase transition in Nd1/3NbO3. Journal of Solid State Chemistry, 180(6), 1846-1851. |
| Abstract: | The crystal structure of the A-site deficient perovskite Ln1/3NbO3 (Ln=Nd, Pr) at room temperature has been determined, for the first time, as orthorhombic in space group Cmmm using high-resolution neutron powder diffraction. Pertinent features are the alternation of unoccupied layers of A-sites and layers partly occupied by Ln cations, as well as out-of-phase tilting of the NbO6 octahedra around an axis perpendicular to the direction of the cation/vacancy ordering. The phase transition behaviour of Nd1/3NbO3 has also been studied in situ. This compound undergoes a continuous phase transition at around 650°C to a tetragonal structure in space group P4/mmm due to the disappearance of the octahedral tilting. The analysis of spontaneous strains shows that this phase transition is tricritical in nature. © 2007, Elsevier Ltd. |
| URI: | http://dx.doi.org/10.1016/j.jssc.2007.03.029 http://apo.ansto.gov.au/dspace/handle/10238/2424 |
| ISSN: | 0022-4596 |
| Appears in Collections: | Journal Articles |
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