Academic
Publications
Coupled anion and cation ordering in Sr 3 RFe 4O 10.5 ( R=Y, Ho, Dy) anion-deficientperovskites

Coupled anion and cation ordering in Sr 3 RFe 4O 10.5 ( R=Y, Ho, Dy) anion-deficientperovskites,10.1016/j.jssc.2010.09.039,Journal of Solid State Chem

Coupled anion and cation ordering in Sr 3 RFe 4O 10.5 ( R=Y, Ho, Dy) anion-deficientperovskites  
BibTex | RIS | RefWorks Download
The Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficient perovskites were prepared using a solid-state reaction in evacuated sealed silica tubes. Transmission electron microscopy and 57Fe Mössbauer spectroscopy evidenced a complete A-cations and oxygen vacancies ordering. The structure model was further refined by ab initio structure relaxation, based on density functional theory calculations. The compounds crystallize in a tetragonal a≈2√2ap≈11.3Å, с≈4сp≈16Å unit cell (ap: parameter of the perovskite subcell) with the P42/mnm space group. Oxygen vacancies reside in the (FeO5/4□3/4) layers, comprising corner-sharing FeO4 tetrahedra and FeO5 tetragonal pyramids, which are sandwiched between the layers of the FeO6 octahedra. Smaller R atoms occupy the 9-fold coordinated position, whereas the 10-fold coordinated positions are occupied by larger Sr atoms. The Fe sublattice is ordered aniferromagnetically up to at least 500K, while the rare-earth sublattice remains disordered down to 2K.
Journal: Journal of Solid State Chemistry - J SOLID STATE CHEM , vol. 183, no. 12, pp. 2845-2854, 2010
Cumulative Annual
View Publication
The following links allow you to view full publications. These links are maintained by other sources not affiliated with Microsoft Academic Search.