A novel lithium copper iron phosphate with idealized formula Li5Cu22+Fe3+(PO4)4: crystal structure and distribution of defects
oleh: Shailesh Upreti, Olga V. Yakubovich, Natasha A. Chernova, M. Stanley Whittingham
| Format: | Article |
|---|---|
| Diterbitkan: | International Union of Crystallography 2011-05-01 |
Deskripsi
Gray–green single crystals were obtained under high-pressure, high-temperature hydrothermal conditions. A refinement of atom occupancies gave the composition Li3.68Cu2+Fe3+(Cu0.55Li0.45)2Fe2+0.15(PO4)4. The structure is built from triplets of edge-sharing (Cu,Li)O5–FeO6–(Cu,Li)O5 polyhedra, CuO4 quadrilaterals and PO4 tetrahedra. In the (Cu,Li)O5 polyhedra the Cu and Li positions are statistically occupied in a 0.551 (2):0.449 (2) ratio. Both FeO6 and CuO4 polyhedra exhibit overline1 symmetry. The positions of additional Li atoms with vacancy defects are in the interstices of the framework.