The compression mechanism of CrF3

被引：21

作者：

Jorgensen, JE

Marshall, WG ^{[1
]}

Smith, RI

机构：

[1] Univ Aarhus, Dept Chem, DK-8000 Aarhus C, Denmark

[2] Rutherford Appleton Lab, ISIS Neutron Facil, Didcot OX11 0QX, Oxon, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS | 2004年 / 60卷

关键词：

D O I：

10.1107/S010876810402316X

中图分类号：

O6 [化学];

学科分类号：

0703 ;

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).

引用

页码：669 / 673

页数：5

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