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| Content Provider | Royal Society of Chemistry (RSC) |
|---|---|
| Author | Kim, Sun Woo Fennie, Craig J. Halasyamani, P. Shiv Kim, Sang-Hwan Green, Mark A. Leighton, C. Bhatti, Kanwal Preet Das, Hena |
| Copyright Year | 2012 |
| Abstract | A new charge-ordered magnetically frustrated mixed-metal fluoride with a pyrochlore-related structure has been synthesized and characterized. The material, RbFe2F6 (RbFe2+Fe3+F6) was synthesized through mild hydrothermal conditions. The material exhibits a three-dimensional pyrochlore-related structure consisting of corner-shared Fe2+F6 and Fe3+F6 octahedra. In addition to single-crystal diffraction data, neutron powder diffraction and magnetometry measurements were carried out. Magnetic data clearly reveal strong antiferromagnetic interactions (a Curie–Weiss temperature of −270 K) but sufficient frustration to prevent ordering until 16 K. No structural phase transformation is detected from the variable-temperature neutron diffraction data. Infrared, UV-vis, thermogravimetric, and differential thermal analysis measurements were also performed. First-principles density functional theory (DFT) electronic structure calculations were also done. Crystal data: RbFe2F6, orthorhombic, space groupPnma (no. 62), a = 7.0177(6), b = 7.4499(6), c = 10.1765(8) Å, V = 532.04(8) Å3, Z = 4. |
| Starting Page | 741 |
| Ending Page | 751 |
| Page Count | 11 |
| File Format | HTM / HTML PDF |
| ISSN | 20416520 |
| Volume Number | 3 |
| Issue Number | 3 |
| Journal | Chemical Science |
| DOI | 10.1039/c2sc00765g |
| Language | English |
| Publisher | Royal Society of Chemistry |
| Access Restriction | Open |
| Subject Keyword | Antiferromagnetism Weiss Hydrothermal circulation Neutron diffraction Octahedron Orthorhombic crystal system Magnetometer Density functional theory Powder diffraction Differential thermal analysis Curie\u2013Weiss law |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry |
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