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S. Katrycha, 
, 
, Q.F. Gub, Z. Bukowskia, N.D. Zhigadloa, G. Kraussb and J. Karpinskia
aLaboratory for Solid State Physics, Schafmattstr. 16, ETH Zürich, 8093 Zürich, Switzerland
bLaboratory for Crystallography, Wolfgang-Pauli-Str. 10, ETH Zürich, 8093 Zürich, Switzerland
Available online 14 November 2008.
Abstract
A new modification of KOs2O6, the representative of a new structural type (Pearson symbol aP18, a=5.5668(1) Å, b=6.4519(2) Å, c=7.2356(2) Å, α=65.377(3)°, β=70.572(3)°, γ=75.613(2)° 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.
Graphical abstract
A new modification of KOs2O6, the representative of a new structural type (Pearson symbol aP18, a=5.5668(1) Å, b=6.4519(2) Å, c=7.2356(2) Å, α=65.377(3)°, β=70.572(3)°, γ=75.613(2)° space group P−1, no. 2 was synthesized employing high pressure technique. The structure can be described as two OsO6 octahedral chains relating to each other through inversion and forming big voids with K atoms inside.
Keywords: Oxides; High pressure; Single crystal X-ray diffraction; Crystal structure
Corresponding author. Fax: +41 44 633 1072.
+2hka*b*U12].
