Abstract

A new acentric mixed metal borate of composition K2Ba[B4O5(OH)4]2·10H2O, has been successfully obtained by slow evaporation solution method. The compound crystallizes in the Orthorhombic space group Pna21 (No.33) with a = 16.8668(7) Å, b = 13.0903(5) Å, c = 11.5529(5) Å and Z = 4. [B4O5(OH)4]2− clusters serve as fundamental building unit linking with BaO8, K1O6, K2O7 by common O atoms to form three-dimensional layer structure. The second harmonic generation measurements in the powder samples reveal that the compound exhibits approximately 0.5 times that of KH2PO4 (KDP) and phase matching.

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