Pressure-Induced Crystallization and Characterization of the Tin Borate β-SnB4O7
Pressure-Induced Crystallization and Characterization of the Tin Borate β-SnB4O7
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DOI：
10.1021/cm061946w
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发表时间：
2007
影响因子：
8.6
通讯作者：
J. Knyrim;F. Schappacher;R. Pöttgen;J. S. A. D. Günne;and Dirk Johrendt;H. Huppertz
中科院分区：
文献类型：
--
作者：
J. Knyrim;F. Schappacher;R. Pöttgen;J. S. A. D. Günne;and Dirk Johrendt;H. Huppertz
近年来，在三元体系Sn-B-O中进行了一些研究，作为锡基非晶复合氧化物（TCO）的简化变体，TCO是用作锂离子可充电电池负极的材料。该体系中的所有化合物都是玻璃，因此合成晶体近似物以进行更详细的结构研究将是有利的。使用高压/高温条件（7.5 GPa和1100 °C;沃克型多砧装置）导致第一个晶体硼酸锡β-SnB 4 O 7的合成。β-SnB 4 O 7的单晶结构测定显示Pmn 21，a = 1086.4（2）pm，B = 444.80（9）pm，c = 423.96（8）pm，Z = 2，R1 = 0.0155，wR 2 = 0.0324（所有数据）。与MB_4O_7（M = Sr，Pb，Eu，β-Ca和β-Hg）的同型相不同，β-SnB_4O_7中锡原子的位置受立体化学活性孤对电子的影响。此外，我们报告的热分析方面（DTA-TG和温度分辨原位聚合物。
In the last years, several investigations were performed in the ternary system Sn−B−O as a simplified variant of the tin-based amorphous composite oxide (TCO), a material in use as negative electrode of lithium-ion rechargeable batteries. All compounds in this system are glasses, so the synthesis of crystalline approximands for a more detailed structural investigation would be favorable. The use of high-pressure/high-temperature conditions (7.5 GPa and 1100 °C; Walker-type multianvil apparatus) led to the synthesis of the first crystalline tin borate β-SnB4O7. The single-crystal structure determination of β-SnB4O7 showed Pmn21, a = 1086.4(2) pm, b = 444.80(9) pm, c = 423.96(8) pm, Z = 2, R1 = 0.0155, and wR2 = 0.0324 (all data). In contrast to the isotypic phases MB4O7 (M = Sr, Pb, Eu, β-Ca, and β-Hg), the position of the tin atom in β-SnB4O7 is influenced by the existence of a stereochemically active lone pair. Furthermore, we report on thermoanalytical aspects (DTA-TG and temperature-resolved in situ po...