Structural analysis of p-type transparent conductive compound BaCuSeF by synchrotron X-ray diffraction

Abstract

We investigated crystal structure of BaCuSeF with a space group of P4/nmm (No. 129) by Rietveld refinement of synchrotron X-ray diffraction data. The Se atom was displaced in the ab plane from the ideal position (2c). The displacement decreased with decreasing temperature. The Se atom occupied the ideal position below 125 K. The results were consistent with XAFS results.