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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Bulk modulus and non-uniform compression of Nb3Te4 and InxNb3Te4 (x < 1) channel compounds
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Bulk modulus and non-uniform compression of Nb3Te4 and InxNb3Te4 (x < 1) channel compounds

机译：Nb3Te4和InxNb3Te4（x <1）通道化合物的体积模量和非均匀压缩

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摘要

The crystal structures of Nb3Te4 and InxNb3Te4 [x = 0.539 (4)] are reported for a series of pressures between 0 and 40 GPa. Both compounds crystallize in space group P6(3)/m with a = b = 10.671 and c = 3.6468 Angstrom for Nb3Te4, and a = b = 10.677 and c = 3.6566 Angstrom for InxNb3Te4 at ambient conditions. Phase transitions were not observed. High-pressure X-ray powder diffraction was measured using a diamond anvil cell and synchrotron radiation. Full Rietveld refinements provided the values of the lattice parameters and the values of the atomic coordinates at each pressure. The bulk modulus is found as K-0 = 70 (5) GPa for Nb3Te4 and as K-0 = 73 (4) GPa for InxNb3Te4. The analysis of the pressure dependences of the detailed crystal structures shows that the compression along c involves the folding up of the quasi-one-dimensional zigzag chains of Nb. The compression perpendicular to c is entirely due to the reduction of the diameter of the channels. The presence of intercalated In atoms is found to have hardly any influence on the compression behaviour up to 40 GPa. [References: 19]
机译：Nb3Te4和InxNb3Te4的晶体结构[x = 0.539（4）]报告为一系列压力介于0和40 GPa之间。两种化合物都在空间群P6（3）/ m中结晶，其中Nb3Te4的a = b = 10.671和c = 3.6468埃，在环境条件下，对于InxNb3Te4，a = b = 10.677和c = 3.6566埃。没有观察到相变。使用金刚石砧盒和同步加速器辐射测量高压X射线粉末衍射。完整的Rietveld改进提供了每个压力下的晶格参数值和原子坐标值。发现Nb3Te4的体积模量为K-0 = 70（5）GPa，InxNb3Te4的体积模量为K-0 = 73（4）GPa。对详细晶体结构的压力依赖性的分析表明，沿c的压缩涉及Nb的准一维之字形链的折叠。垂直于c的压缩完全归因于通道直径的减小。发现插入的In原子的存在对40 GPa以下的压缩行为几乎没有影响。 [参考：19]

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