Abstract
Two new barium hydroxyborosilicates, Ba2[Si3B3O12(OH)] (1) and Ba[Si2BO6(OH)] (2), have been synthesized by a flux method at 480 °C and characterized by single-crystal X-ray diffraction and infrared spectroscopy. Both compounds have 2D layer structures. Compound 1 contains planar slabs of borosilicate formed of tetrahedral building units which can be described as condensation of three 3-connected 2D single layers with a 63 network topology. The Ba2+ cations are located in both the interlayer and intralayer regions. The structure is unusual with respect to the triple tetrahedral layers. Compound 2 consists of very contorted (3,4)-connected single layers with the rare (42.62)(4.62)2 topology. The single layer is composed of both tertiary and quaternary tetrahedra. The synthesis method is new. A mixture of Ba(OH)2·8H2O, H3BO3 and SiO2 was sealed in a gold ampoule, heated at high temperature in a pressure vessel, and the flux is a small amount of concentrated aqueous hydroxide solution. Crystal data for compound 1: monoclinic, P21/n, a = 4.7112(2) Å, b = 29.9482(14) Å, c = 7.3773(4) Å, β = 92.593(2)°, V = 1039.81(9) Å3, Z = 4, and R1 = 0.0246; compound 2: monoclinic, P21/c, a = 7.4206(2) Å, b = 8.9405(2) Å, c = 8.5677(2) Å, β = 90.208(1)°, V = 568.41(2) Å3, Z = 4, and R1 = 0.0467.
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