You are here: Home :: Area NEM :: Chemistry :: Inorganic chemistry

Björn Winkler, A. Kahle, C. Griewatsch, Victor Milman

Experimental and theoretical high pressure study of β-Cs₂SO₄

The high pressure behaviour of the room temperature modification of cesium sulfate, β-Cs₂SO₄, has been studied by powder x-ray diffraction and by ab initio calculations based on density functional theory. The powder x-ray diffraction experiments were carried out using a diamond anvil cell mounted on an image plate system. The pressure dependence of the unit cell parameters was obtained for pressures up to 4.5 GPa. A fit with a 3^rd-order Birch-Murnaghan equation of state gave a bulk modulus, B₀=28.4(1.0)GPa, with a pressure derivative B´₀=5.1(6). Quantum mechanical calculations have been used to study structural changes induced by compression.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 215, 01/2000
Pages: 17

Journal homepage (external site)

Show all available items of this journal

 

Area NEM