Inorganic Chemistry · 2017 · 33 citations · 12 references
Natural SciencesMaterials SciencePhysicsCrystal StructureSolid State PhysicsSolid-state ChemistryCrystal ChemistryCrystal LatticeCrystal SymmetryCrystallographyStructure DeterminationX-ray CrystallographyCrystal Structure RefinementCrystallographic CharacterizationPowder DiffractionPowder X-ray DiffractionReversible Phase TransformationsSingle-crystal DiffractionSingle-crystal X-ray DiffractionStrontium Salts
The low-temperature modification of Sr 3 (O 3 C 3 N 3 ) 2 was prepared and assigned as α-SCY after the high-temperature phase (now called β-SCY) and its frequency-doubling properties were reported recently. The crystal structure of α-SCY was solved and refined by single-crystal X-ray diffraction. Both modifications of SCY crystallize in noncentrosymmetric space groups, with the low-temperature phase (α-SCY) adopting the lower symmetry structure ( Cc ). Atomic positions in α-SCY ( Cc ) reveal only small deviations in comparison to those in the structure of β-SCY ( R 3 c ). The reversible phase transition between both modifications of SCY was studied by means of temperature-dependent powder X-ray diffraction. NLO measurements of both SCY modifications are reported in comparison to the commercial frequency-doubling material KTiOPO 4 (KTP).
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