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Flux synthesis and characterization of two barium hydroxyborosilicates with triple and single tetrahedral layers: Ba2[Si3B3O12(OH)] and Ba[Si2BO6(OH)]
Journal of Solid State Chemistry ( IF 3.2 ) Pub Date : 2020-03-24 , DOI: 10.1016/j.jssc.2020.121331
Ling-Wei Chang , Hsin-Kuan Liu , Kwang-Hwa Lii

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.



中文翻译:

具有三层和单四面体层的两种钡羟基硼硅酸钡的助焊剂合成和表征:Ba 2 [Si 3 B 3 O 12(OH)]和Ba [Si 2 BO 6(OH)]

两种新型的羟基硼硅酸钡Ba 2 [Si 3 B 3 O 12(OH)](1)和Ba [Si 2 BO 6(OH)](2)通过助熔剂法在480°C下合成,并通过单晶X射线衍射和红外光谱。两种化合物均具有2D层结构。化合物1包含由四面体建筑单元形成的硼硅酸盐平板,可以描述为三层3连接的2D单层与6 3网络拓扑的缩合。Ba 2+阳离子位于层间和层内区域。对于三重四面体层,该结构是不寻常的。化合物2由扭曲非常严重的(3,4)连接的单层组成,具有罕见的(4 2 .6 2)(4.6 22拓扑。单层由第三和第四四面体组成。合成方法是新的。将Ba(OH)2 ·8H 2 O,H 3 BO 3和SiO 2的混合物密封在金安瓿中,在压力容器中在高温下加热,并且焊剂为少量的浓氢氧化物水溶液。化合物1的晶体数据:单斜晶系,P 2 1 / Ñ一个 = 4.7112(2)埃,b  = 29.9482(14)A,C ^  = 7.3773(4)β= 92.593(2)°,V  = 1039.81(9)埃3Z  = 4,R 1 = 0.0246;化合物2:单斜晶,P 2 1 / ca  = 7.4206(2)Å,b  = 8.9405(2)Å,c  = 8.5677(2)Å,β= 90.208(1)°,V  = 568.41(2)Å 3Z  = 4,且R 1 = 0.0467。

更新日期:2020-03-24
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