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首页> 外文期刊>International Journal of Quantum Chemistry >Structural transformations in three-dimensional crystalline GeSe2 at high pressures and high temperatures
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Structural transformations in three-dimensional crystalline GeSe2 at high pressures and high temperatures

机译:高压高温下三维晶体GeSe2的结构转变

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摘要

Germanium diselenide GeSe2 is studied in situ at the pressure range 2-6 GPa using angle-dispersive X-ray diffraction in a large volume Paris-Edinburgh cell. The structure at 2 GPa and 698 K, solved with direct methods in the 14 space group (a = 5.5073(3) Angstrom, c = 9.9373(8) Angstrom, Z = 4), is three dimensional with all the GeSe4 tetrahedra sharing their corners. Anomalous lattice expansion along the c axis with increasing pressure and pressure-induced structural variations are explained by anisotropic lattice distortions due to cooperative tiltings of the rigid GeSe4 units. (C) 2000 Academic Press. [References: 28]
机译:在大体积的Paris-Edinburgh电池中,使用角分散X射线衍射在2-6 GPa压力范围内就地研究了二硒化锗GeSe2。在14 G空间组(a = 5.5073(3)埃,c = 9.9373(8)埃,Z = 4)中用直接方法求解的2 GPa和698 K结构为三维,所有GeSe4四面体共享它们的角落。由于刚性GeSe4单元的协同倾斜导致的各向异性晶格畸变,解释了随着压力增加和压力引起的结构变化,沿c轴的异常晶格扩展。 (C)2000年学术出版社。 [参考:28]

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