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Structural, electronic and vibrational properties of LaF3 according to density functional theory and Raman spectroscopy
Crystal structure of LaF3 single crystal is refined in tysonite-type trigonal unit cell P c1 using density functional theory calculations and Raman spectroscopy. It is shown that trigonal structure with P c1 space group ...
Raman scattering and phase transitions in (NH4)3TiF7
Raman spectra of (NH4)3TiF7 within spectral range 10–3,400 cm−1 at temperatures 8–370 K are recorded, which revealed 2 phase transitions at temperatures T1 = 355 K and T2 = 283 K. First principles calculations of lattice ...
Exploration of structural, thermal and spectroscopic properties of self-activated sulfate Eu2(SO4)3 with isolated SO4 groups
Eu2(SO4)3 was synthesized by chemical precipitation method and the crystal structure was determined by Rietveld analysis. The compound crystallizes in monoclinic space group С2/с. In the air environment, Eu2(SO4)3 is stable ...
Structure, Thermal Stability, and Spectroscopic Properties of Triclinic Double Sulfate AgEu(SO4)2 with Isolated SO4 Groups
Silver–europium double sulfate AgEu(SO4)2 was obtained by solid-phase reaction between Ag2SO4 and Eu2(SO4)3. The crystal structure of AgEu(SO4)2 was determined by Monte Carlo method with simulated annealing, and after that, ...