Crystal structure and cation distribution of MnCrInS₄ from synchrotron powder diffraction data

Abstract

The structure and site-occupancy of the spinel-type MnCrInS 4 was determined from powder diffraction data using synchrotron radiation (A = 0.748 Ä) and the two-step method (integrated intensities determined by individual profile fittings followed by last-squares refinement). A Rietveld analysis was also done in order to check for the reliability of the method. The site-occupancy formula was [Mn 0 75 Ιη 0 .25] [Cr 0 . 5 Mn 0 .i2-Ι η 0.38]2$4.