Noncentrosymmetric Cation Order in the Cubic Perovskite Ba(4)CaFe(3)O9.5
The syntheses and characterization of the acentric, B-cation ordered phase Ba4CaFe3O9.5 and a topotactically oxidized product Ba4CaFe3O10.7 are reported. Utilizing electron diffraction and neutron powder diffraction data, cation ordered structures based on a cubic perovskite lattice were refined for...
| Main Authors: | , , , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
2010
|
| _version_ | 1797098984083292160 |
|---|---|
| author | Turp, SA Hargreaves, J Baek, J Halasyamani, P Hayward, M |
| author_facet | Turp, SA Hargreaves, J Baek, J Halasyamani, P Hayward, M |
| author_sort | Turp, SA |
| collection | OXFORD |
| description | The syntheses and characterization of the acentric, B-cation ordered phase Ba4CaFe3O9.5 and a topotactically oxidized product Ba4CaFe3O10.7 are reported. Utilizing electron diffraction and neutron powder diffraction data, cation ordered structures based on a cubic perovskite lattice were refined for Ba 4CaFe3O9.5 (space group I212 121, a = 8.234(1) Å, b = 8.213(1) Å, c = 34.622(7) Å) and Ba4CaFe3O10.7 (space group I4̄2d a = 8.1821(4) Å, c = 32.3105(19) Å) The two Ba 4CaFe3O12-x phases exhibit complex structures in which Ca2+ and Fe3+ are ordered over the B-sites of the cubic perovskite lattice. This order results in the loss of structural inversion symmetry, thus the resulting cation ordered Ba4CaFe 3O12-x phases are both magnetic and acentric making them good candidates for multiferroic behavior. Further structural analysis reveals the complex cation order is induced through a combination of factors: the different coordination preferences of Ca2+ and Fe3+, anion vacancy ordering, and the need to minimize lattice strain. The general applicability of this synthetic strategy for the preparation of cation ordered materials is discussed. © 2010 American Chemical Society. |
| first_indexed | 2024-03-07T05:17:20Z |
| format | Journal article |
| id | oxford-uuid:ddaaa0fa-9d44-4617-9c12-14cadab6791d |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T05:17:20Z |
| publishDate | 2010 |
| record_format | dspace |
| spelling | oxford-uuid:ddaaa0fa-9d44-4617-9c12-14cadab6791d2022-03-27T09:26:38ZNoncentrosymmetric Cation Order in the Cubic Perovskite Ba(4)CaFe(3)O9.5Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:ddaaa0fa-9d44-4617-9c12-14cadab6791dEnglishSymplectic Elements at Oxford2010Turp, SAHargreaves, JBaek, JHalasyamani, PHayward, MThe syntheses and characterization of the acentric, B-cation ordered phase Ba4CaFe3O9.5 and a topotactically oxidized product Ba4CaFe3O10.7 are reported. Utilizing electron diffraction and neutron powder diffraction data, cation ordered structures based on a cubic perovskite lattice were refined for Ba 4CaFe3O9.5 (space group I212 121, a = 8.234(1) Å, b = 8.213(1) Å, c = 34.622(7) Å) and Ba4CaFe3O10.7 (space group I4̄2d a = 8.1821(4) Å, c = 32.3105(19) Å) The two Ba 4CaFe3O12-x phases exhibit complex structures in which Ca2+ and Fe3+ are ordered over the B-sites of the cubic perovskite lattice. This order results in the loss of structural inversion symmetry, thus the resulting cation ordered Ba4CaFe 3O12-x phases are both magnetic and acentric making them good candidates for multiferroic behavior. Further structural analysis reveals the complex cation order is induced through a combination of factors: the different coordination preferences of Ca2+ and Fe3+, anion vacancy ordering, and the need to minimize lattice strain. The general applicability of this synthetic strategy for the preparation of cation ordered materials is discussed. © 2010 American Chemical Society. |
| spellingShingle | Turp, SA Hargreaves, J Baek, J Halasyamani, P Hayward, M Noncentrosymmetric Cation Order in the Cubic Perovskite Ba(4)CaFe(3)O9.5 |
| title | Noncentrosymmetric Cation Order in the Cubic Perovskite Ba(4)CaFe(3)O9.5 |
| title_full | Noncentrosymmetric Cation Order in the Cubic Perovskite Ba(4)CaFe(3)O9.5 |
| title_fullStr | Noncentrosymmetric Cation Order in the Cubic Perovskite Ba(4)CaFe(3)O9.5 |
| title_full_unstemmed | Noncentrosymmetric Cation Order in the Cubic Perovskite Ba(4)CaFe(3)O9.5 |
| title_short | Noncentrosymmetric Cation Order in the Cubic Perovskite Ba(4)CaFe(3)O9.5 |
| title_sort | noncentrosymmetric cation order in the cubic perovskite ba 4 cafe 3 o9 5 |
| work_keys_str_mv | AT turpsa noncentrosymmetriccationorderinthecubicperovskiteba4cafe3o95 AT hargreavesj noncentrosymmetriccationorderinthecubicperovskiteba4cafe3o95 AT baekj noncentrosymmetriccationorderinthecubicperovskiteba4cafe3o95 AT halasyamanip noncentrosymmetriccationorderinthecubicperovskiteba4cafe3o95 AT haywardm noncentrosymmetriccationorderinthecubicperovskiteba4cafe3o95 |