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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >The compression mechanism of CrF3
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The compression mechanism of CrF3

机译：CrF3的压缩机理

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摘要

The structure of CrF3 has been studied in the pressure range from ambient to 9.12 GPa by time-of-flight neutron powder diffraction. Rietveld refinements of the crystal structure were performed in the space group R3c for all the recorded data sets. It was found that volume reduction is achieved through rotation of the CrF6 octahedra and that the Cr-F-Cr bond angle decreases from 144.80 (7) to 133.9 (4)degrees within the investigated pressure range. Furthermore, a small octahedral strain was found to develop during compression. The octahedral strain reflects an elongation of the CrF6 octahedra along the c-axis direction. The zero-pressure bulk modulus B-o and its pressure derivative B'(o) were determined to be B-o = 29.2 (4) GPa and B'(o) = 10.1 (3).
机译：通过飞行时间中子粉末衍射研究了CrF3的结构，其压力范围为环境压力至9.12 GPa。对于所有记录的数据集，在空间组R3c中进行了晶体结构的Rietveld改进。发现通过减小CrF6八面体的旋转可以实现体积减小，并且在研究的压力范围内，Cr-F-Cr的键角从144.80（7）降低到133.9（4）度。此外，发现在压缩过程中会产生小的八面体应变。八面体应变反映了CrF6八面体沿c轴方向的伸长。零压力体积模量B-o及其压力导数B'（o）被确定为B-o = 29.2（4）GPa和B'（o）= 10.1（3）。

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