Abstract
AbstractA new mixed crystal K 1−x (NH 4 ) x H 2 PO 4 (KADP) of ammonium dihydrogen phosphate (ADP) of ADP–KCl system has been synthesized with x = 0.5 by slow evaporation of the mixture of equimolar aqueous solution at room temperature. Crystal composition determined by single crystal X-ray diffraction analysis reveals that it belongs to the tetragonal system with noncentrosymmetric space group I-42d and it is structurally similar to ADP crystals with the following parameters: a = 7.418(3) A; c = 7.2284(6) A; v = 404.63(4) A 3 ; z = 4. The substitution results in defect centers which influence the physical properties. Mixed crystal has a superior NLO activity, twice that of KH 2 PO 4 (KDP), a well known NLO material and the enhanced NLO activity is rationalized. The structural analysis of KADP and the influence of partial cationic substitution in ADP by K + ions on the NLO properties are reported.Graphical AbstractThe synthesis and crystal structure of a new mixed crystal K 0.5 (NH 4 ) 0.5 H 2 PO 4 (KADP) have been presented. The structural analysis of KADP reveals that K + and NH 4 + cations coexist in the same crystal of KADP.[IMAGE]
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