A new triclinic modification of the pyrochlore-type KOs2O6 superconductor

A new modification of KOs2O6, the representative of a new structural type (Pearson symbol aP18, a=5.5668(1)A, b=6.4519(2)A, c=7.2356(2)A, space group P-1, no.2) was synthesized employing high pressure technique. Its structure was determined by single-crystal X-ray diffraction. The structure can be described as two OsO6 octahedral chains relating to each other through inversion and forming big voids with K atoms inside. Quantum chemical calculations were performed on the novel compound and structurally related cubic compound. High-pressure X-ray study showed that cubic KOs2O6 phase was stable up to 32.5(2) GPa at room temperature.
Comment: 23 pages, 9 figures,6 tables. Accepted for J. Solid State Chem