The Structure of a Mixed-Valence Iron Fluoride, Fe2F5.2H2O.

Abstract

The mixed valence iron compound, Fe2F5.2H2O, crystallizes in the orthorhombic system, space group Imma. The unit cell has dimensions a = 7.489(7)A, B = 10.897(8), and c = 6.671(6)A and contains four formula weights. The calculated and experimental densities are 2.96 g/cc and 2.94 g/cc, respectively, at 20 + or - 1 degree. Measurements of diffracted intensities employed theta-2 theta scans with filtered MoK radiation on a Picker diffractometer. A total of 250 reflections in the range 2 < or = 2 theta < 50 degrees were retained as observed. The structure was determined using the heavy-atom method and least-squares refinement. The final conventional discrepancy factor was 0.053. The non-molecular solid possesses a three dimensional network structure with distinct Fe(II) and Fe(II) coordination sites. The average Fe(II)-F and Fe(III)-F bond lengths are 2.060(6)A and 1.941(6)A, respectively. The aquo groups are coordinated to the iron (II) with Fe-O bond length of 2.13(1)A. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Feb 09, 1977
Accession Number
ADA035714

Entities

People

  • D. B. Brown
  • E. G. Walton
  • J. Zubieta
  • Seungchan Kim
  • W. Hall

Organizations

  • University of Vermont

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  • Biomedical
  • Weapons Technologies

DTIC Thesaurus Topics

  • California
  • Chemistry
  • Crystal Structure
  • Diffraction
  • Electron Density
  • Inorganic Chemistry
  • Intensity
  • Iron
  • Materials
  • Metals
  • Military Research
  • Physical Properties
  • Radiation
  • Scattering
  • Three Dimensional
  • Transition Metals
  • United States

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  • Chemistry

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  • Materials Science and Engineering.
  • Quantum Chemistry

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