Abstract
X-ray Absorption Fine-Structure (XAFS) measurements in the temperature range 20-473K at the Fe K-edge of synthetic almandine (Fe3Al2Si3O12) allow us to determine the temperature dependence of the XAFS Debye-Waller (DW) factors for each of the two crystallographically independent Fe−O bond distances (Fe(1)−O and Fe(2)−O). The vibrational anisotropy of Fe2+ in the dodecahedral X-site has been documented. The XAFS DW factor of the longer Fe(2)−O bond is larger and has a greater T-dependence than the shorter Fe(1)−O bond, which remains constant over the measured T range. The XAFS DW factors are compared with the uncorrelated part of the DW factors derived from a single-crystal X-ray diffraction (XRD) study on almandine and are interpreted on the basis of the Einstein model. A comparison with diffraction data shows that the shorter Fe(1)–O bond is significantly affected by correlation in the atomic displacements.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.