Extended vs. Local Structure in Sb-Pyrochlores: An Illustration of the Valuable Interplay between Crystallography and XAFS

摘要

The convergence between extended structure provided by X-ray diffraction and local structure of antimony extracted from spectroscopic data is reached through an alternative crystallographic description for a Sb-pyrochlore arrangement within the same space group symmetry of pyrochlore structure-type. A full account on this description is presented, along with a calculated diffraction pattern matching experimental data and conforming to Sb 1s XANES data.