title: The compression mechanism of CrF3.
abstract: 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 R3 c 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 Bo and its pressure derivative Bo' were determined to be Bo = 29.2 (4) GPa and Bo' = 10.1 (3).
authors.affiliation: Department of Chemistry, University of Aarhus, DK-8000 Arhus C, Denmark. jenserik@chem.au.dk
authors.forename: J E
authors.initials: JE
authors.lastname: Jørgensen
authors.forename: W G
authors.initials: WG
authors.lastname: Marshall
authors.forename: R I
authors.initials: RI
authors.lastname: Smith