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2004
Structure
D 2000
51- 010
Crystal Structure, Second Harmonic Generation, and Vibrational Spectroscopy
of K2Mg2(SCN)6·3H2O. — Single crystals of the title compound are prepared by reaction of MgCl2 and KSCN at 220 °C using the Bridgman technique. As revealed by single crystal XRD, K2Mg2(SCN) 6·3H 2O crystallizes in the noncentrosymmetric hexagonal space group P63cm with Z = 2. The structure consists of [Mg2(SCN) 6(H2O) 3]2dimers which are arranged parallel in equal orientation. The K+ ions are connected via
two S atoms to hexagonal rings. The compound exhibits a second harmonic generation
intensity of about 40% of that of KH2PO4. It is further characterized by IR and Raman
spectroscopy. — (WICKLEDER*, C.; LARSEN, P.; Chem. Mater. 16 (2004) 21,
4016-4021; Inst. Anorg. Chem., Univ. Koeln, D-50939 Koeln, Germany; Eng.) —
W. Pewestorf
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