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New boron-rich sulfide B6S and selenide B6Se have been discovered from highpressure - high temperature synthesis combined with ab initio evolutionarycrystal structure prediction, and studied by synchrotron X-ray diffraction andRaman spectroscopy at ambient conditions. As it follows from Rietveldrefinement of powder X-ray diffraction data, both chalcogenides haveorthorhombic symmetry and belongs to Pmna space group. All experimentallyobserved Raman bands have been attributed to the theoretically calculatedphonon modes, and the mode assignment has been performed. Prediction ofmechanical properties (hardness and elastic moduli) of new boron-richchalcogenides have been made using ab initio routines, and both compounds werefound to be members of a family of hard phases (Hv ~ 31 GPa).

Discovery of new boron-rich chalcogenides: orthorhombic B6X (X = S, Se)