X-ray multi-beam resonant diffraction analysis of crystal symmetry for layered perovskite YBaCuFeO5

Abstract

The open question of crystal symmetry for YBaCuFeO5, still under debate, is resolved by using diffraction anomalous fine structure and resonant multi-beam X-ray diffraction at the Fe and Cu K edges. The different asymmetric intensity distributions observed at 7, 7.1305 and 8.9945 keV give direct evidence that the space group of YBaCuFeO5 should be P4/mmm with the distance between Cu and apical O atoms longer than that between Fe and O atoms. This approach provides a direct way to resolve detailed structural symmetry which is indeterminate in conventional Bragg diffraction.