Higher-order thermal motion tensor analysis and atom disorder in cubic melanophlogite

@article{Nakagawa2006HigherorderTM,
  title={Higher-order thermal motion tensor analysis and atom disorder in cubic melanophlogite},
  author={Takeshi Nakagawa and Kuniaki Kihara},
  journal={Journal of Mineralogical and Petrological Sciences},
  year={2006},
  volume={101},
  pages={14-22}
}
  • T. Nakagawa, K. Kihara
  • Published 1 February 2006
  • Materials Science
  • Journal of Mineralogical and Petrological Sciences
The structure of the high temperature form of melanophlogite (MEP) at 84 °C was refined by using a least squares refinement that was based on the Gram-Charlier expansion of the atomic probability density functions (PDF) up to the fourth-order terms. The refinements of 95 variable parameters on the space group Pm3n converged to R = 0.0275 (Rw = 0.0313) for the 607 observed reflections in single crystal X-ray diffraction. The PDFs for three types of O atom (in total, there were four types, O1 to… 

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