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• W2058479957 abstract "Silver thiogallate, AgGaS2, is a representative member of the AIBIIIC 2VI family with chalcopyrite structure. AgGaS2 is strongly piezoelectric and is phase matchable for second harmonic generation. The lattice constants of this tetragonal crystal are a = 5.75722 ± 0.00003 and c = 10.3036 ± 0.0002 Å at 298 °K. The space group is I 42d, with four formulas per unit cell. The integrated intensities of 1978 reflections were measured within a hemisphere of reciprocal space having radius (sin θ)/λ = 1.02 Å−1 using PEXRAD, resulting in 268 symmetry‐independent structure factors. The x coordinate of sulfur (0.2908 ± 0.0004) is 0.088 Å less than the value calculated on the assumption of a geometrically regular tetrahedral bond distribution about the B atom. By contrast, four AIIBIVC2V compounds previously reported have x coordinates for the Cv atom either slightly greater than (for ZnSiP2, CdSiP2, and ZnSiAs2), or not significantly different from (for ZnGeP2) that calculated. The experimental Ag–S distance is 2.556 ± 0.001 Å, and Ga–S is 2.276 ± 0.001 Å: the S–Ga–S angle bisected by the c axis is 111.1 ± 0.1°." @default.
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• W2058479957 date "1973-08-15" @default.
• W2058479957 modified "2023-10-04" @default.
• W2058479957 title "Crystal structure of piezoelectric nonlinear‐optic AgGaS₂" @default.
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• W2058479957 doi "https://doi.org/10.1063/1.1680242" @default.
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