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首页> 外文期刊>International Journal of Quantum Chemistry >One-dimensional inorganic arrangement in the bismuth oxalate hydroxide Bi(C2O4)OH
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One-dimensional inorganic arrangement in the bismuth oxalate hydroxide Bi(C2O4)OH

机译:草酸铋氢氧化物Bi(C2O4)OH中的一维无机排列

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Single crystals of Bi(C2O4)OH were obtained by the slow diffusion of Bi3+ cations through silica gel impregnated with oxalic acid. The structure was solved in the Pnma space group with a = 6.0853(2) angstrom, b = 11.4479(3) angstrom, c = 5.9722(2)angstrom, leading to R = 0.0188 and wR = 0.0190 from 513 unique reflections. The bismuth coordination polyhedron is a BiO6E pentagonal bipyramid with the lone pair E sitting at an axial vertex. The opposite axial vertex is occupied by a hydroxyl oxygen atom, which is also an equatorial corner of a neighboring BiO6E bipyramid. The sharing of the hydroxyl oxygen atoms build (1)(infinity)[BiO5E] zig-zag chains running down the [100] direction. These chains are aligned in a sheet parallel to the (010) plane and are further connected through oxalate ions to form a three-dimensional arrangement. On heating, Bi(C2O4)OH decomposes to the meta-stable quadratic beta-Bi2O3 phase. (c) 2008 Elsevier Inc. All rights reserved.
机译:Bi(C2O4)OH的单晶是通过Bi3 +阳离子在草酸浸渍的硅胶中缓慢扩散而获得的。在Pnma空间群中解析了该结构,其中a = 6.0853(2)埃,b = 11.4479(3)埃,c = 5.9722(2)埃,从513次独特反射中得出R = 0.0188和wR = 0.0190。铋配位多面体是BiO6E五边形双锥体,孤对E位于轴向顶点。相对的轴向顶点被羟基氧原子占据,该羟基也是相邻的BiO6E双锥体的赤道角。羟基氧原子的共享建立了沿[100]方向延伸的(1)(无限)[BiO5E]之字形链。这些链在平行于(010)平面的薄片中排列,并进一步通过草酸盐离子连接以形成三维排列。加热时,Bi(C2O4)OH分解为亚稳态二次β-Bi2O3相。 (c)2008 Elsevier Inc.保留所有权利。

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