Rietveld refinement of the crystal structure of Cs(IV), a d-electron metal

Rietveld refinement of the crystal structure of the high-pressure phase Cs( IV) is described. Cs(IV) has a transition metal-like electronic structure t hat influences its open-packed crystal structure, which consists of trigona l prisms of Cs atoms, The structure was refined with reliability factors R- F(2) = 0.050, R-wp = 0.043, and R-p = 0.032 in space group I4(1)/amd with t he cesium atoms in the 4a position. (C) 1999 Academic Press.