Abstract
We have investigated the effect of hydrostatic pressure on the structural properties of CsGeBr 3 by means of X-ray diffraction and Raman spectroscopy. Pressures were generated using diamond anvil cells. At 1.0(2) GPa the trigonal ambient pressure modification of CsGeBr 3 undergoes a reversible first-order phase transition to a high-pressure polymorph crystallizing in the cubic perovskite structure. The variation in Ge-Br bond length is obtained from single-crystal structure refinements of both the low- and the high-pressure modifications. The phase transformation occurs at a relative volume of V/V 0 = 0.92, and the prediction from Hartree-Fock calculations is in agreement with this experimental result.
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