0000000001131627
AUTHOR
S. J. Patwe
Experimental and Theoretical Investigations on Structural and Vibrational Properties of Melilite-Type Sr2ZnGe2O7 at High Pressure and Delineation of a High-Pressure Monoclinic Phase.
We report a combined experimental and theoretical study of melilite-type germanate, Sr2ZnGe2O7, under compression. In situ high-pressure X-ray diffraction and Raman scattering measurements up to 22 GPa were complemented with first-principles theoretical calculations of structural and lattice dynamics properties. Our experiments show that the tetragonal structure of Sr2ZnGe2O7 at ambient conditions transforms reversibly to a monoclinic phase above 12.2 Gpa with similar to 1% volume drop at the phase transition pressure. Density functional calculations indicate the transition pressure at, similar to 13 GPa, which agrees well with the experimental value. The structure of the high-pressure mono…
ChemInform Abstract: Experimental and Theoretical Investigations on Structural and Vibrational Properties of Melilite-Type Sr2ZnGe2O7at High Pressure and Delineation of a High-Pressure Monoclinic Phase.
The title compound is characterized by high-pressure powder XRD and Raman scattering measurements up to 22 GPa, and by DFT calculations.