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Acceptance of the Dana Medal of the Mineralogical Society of America for 2023
S 2 − and S 3 − radicals and the S 4 2 − polysulfide ion in lazurite, haüyne, and synthetic ultramarine blue revealed by resonance Raman spectroscopy
Jadeite and related species in shocked meteorites: Limitations on inference of shock conditions
Ab initio study of the structure and relative stability of MgSiO 4 H 2 polymorphs at high pressures and temperatures
High-pressure compressibility and vibrational properties of (Ca,Mn)CO 3
Hexagonal Na 0.41 [Na 0.125 Mg 0.79 Al 0.085 ] 2 [Al 0.79 Si 0.21 ] 6 O 12 (NAL phase): Crystal structure refinement and elasticity
Stability and spectroscopy of Mg sulfate minerals: Role of hydration on sulfur isotope partitioning
Identifying the spin transition in Fe 2+ -rich MgSiO 3 perovskite from X-ray diffraction and vibrational spectroscopy
Pressure-induced phase transitions in coesite
Bonding and structural changes in siderite at high pressure
Abstract Atomic lattices are not static ensembles of atoms. Rather, the atomic nuclei in solids are continually vibrating. Various factors such as temperature, external electric or magnetic fields, pressure, etc . can affect these vibrations. The pattern of vibrations is structureand compound-dependent. Consequently one of its possible uses is determinative, as recorded in Raman and/or infrared spectra. Here we present briefly the theoretical basis of lattice dynamics in the density-functional perturbation theory formalism. Then we discuss in detail the formalism used to compute the Raman spectra, with both peak position and intensity. We exemplify with the WURM project, a freely available web-based repository of computed physical properties for minerals, focused around Raman spectra.