Synthesis and Rietveld crystal structure refinement of mackinawite, tetragonal FeS

Alistair R. Lennie, Simon A. T. Redfern, Paul F. Schofield, David J. Vaughan

Research output: Contribution to journalArticlepeer-review


Mackinawite, tetragonal FeS, has been synthesised by reacting iron with Na2S solutions. A Rietveld structure refinement of X-ray powder diffraction data, recorded using X-rays monochromated from synchrotron radiation with a wavelength of 0.6023 A, has been performed. The structure has been refined in the tetragonal space group, P4/nmm, and has the following cell parameters: a = 3.6735(4), c = 5.0328(7) Å, V = 67.914(24) A3. Our refinement shows that the FeS4 tetrahedron in mackinawite is almost perfectly regular, with a much smaller distortion than has been previously reported. An improved X-ray diffraction data set is provided.
Original languageEnglish
Pages (from-to)677 - 683
Number of pages7
JournalMineralogical Magazine
Publication statusPublished - 1 Dec 1995


  • Mackinawite
  • Rietveld structure refinement
  • Synthesis


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