Crystal Structures and Oxygen Position in Prussian Blue Analogs

ORAL

Abstract

Prussian Blue Analogs (PBAs) are a family of compounds that crystallize in cubic structures similar to the parent Prussian Blue, Fe$_{4}$(Fe(CN)$_{6})_{2}$. In recent years, some PBAs have attracted attention because of negative thermal expansion effects. In PBAs, other metal cations occupy the Fe$^{2+}$ and Fe$^{3+}$ positions of the original Prussian Blue. The 3d transition metal PBAs synthesize at compositions M$_{3}$(M'(CN)$_{6})_{2}$.xH2O, where M and M' are the metal ions and x is the number of water molecules. The metals lie at the center of an alternating octahedral C and N framework. For some of the compounds, one finds that there are additional metal ions in the centers of the octahedral framework while for others there is evidence for defects within the octrahedrals. Moreover, PBAs typically accommodate between 10 and 20 water molecules per unit cell. In this study, neutron diffraction was used to identify the crystal structures and the location of the oxygens from the water molecules for five PBAs, namely Co$_{3}$(Cr(CN)$_{6})_{2}$, Co$_{3}$(Fe(CN)$_{6})_{2}$, Cu$_{3}$(Fe(CN)$_{6})_{2}$, Mn$_{3}$(Fe(CN)$_{6})_{2}$, and Ni$_{3}$(Fe(CN)$_{6})_{2}$.

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Authors

  • Michael Boergert

    New Mexico State University

  • John Colton

    Brigham Young University Dept. of Physics and Astronomy, Brigham Young University, None, The College of William and Mary/Jefferson Lab, Brigham Young University-Idaho, Blue Ridge Research and Consulting LLC, Air Force Research Laboratory - Wright Patterson Air Force Base, Brigham Young Univ - Provo, Blue Ridge Research and Consulting, University of Utah, SRI International, Utah State University, Utah Valley University, Los Alamos National Laboratory, Professor, Graduate, United States Air Force Academy, Arizona State Univ, SiO2 NanoTech, Entrepix Inc, AFRL, Advisor, Brigham Young University- Provo, University of New Mexico, Univ of Utah, University of Wisconsin -- Madison, New Mexico Tech Physics Dept., Retired, Department of Physics and Astronomy, University of Utah, Department of Physics \& Astronomy, University of Hawai'i, JILA and University of Colorado, Boulder, National Institute of Standards and Technology, Boulder, University of Colorado, Boulder, Lawrence Berkeley National Laboratory, National Institute of Standards and Technology, Space Dynamics Lab, New Mexico Tech, BYU Professor, Brigham Young University -- Provo, Northern Arizona University, University of Colorado Boulder, Colorado State University, University of Utah, Department of Physics, New Mexico State University

  • John Colton

    Brigham Young University Dept. of Physics and Astronomy, Brigham Young University, None, The College of William and Mary/Jefferson Lab, Brigham Young University-Idaho, Blue Ridge Research and Consulting LLC, Air Force Research Laboratory - Wright Patterson Air Force Base, Brigham Young Univ - Provo, Blue Ridge Research and Consulting, University of Utah, SRI International, Utah State University, Utah Valley University, Los Alamos National Laboratory, Professor, Graduate, United States Air Force Academy, Arizona State Univ, SiO2 NanoTech, Entrepix Inc, AFRL, Advisor, Brigham Young University- Provo, University of New Mexico, Univ of Utah, University of Wisconsin -- Madison, New Mexico Tech Physics Dept., Retired, Department of Physics and Astronomy, University of Utah, Department of Physics \& Astronomy, University of Hawai'i, JILA and University of Colorado, Boulder, National Institute of Standards and Technology, Boulder, University of Colorado, Boulder, Lawrence Berkeley National Laboratory, National Institute of Standards and Technology, Space Dynamics Lab, New Mexico Tech, BYU Professor, Brigham Young University -- Provo, Northern Arizona University, University of Colorado Boulder, Colorado State University, University of Utah, Department of Physics, New Mexico State University

  • John Colton

    Brigham Young University Dept. of Physics and Astronomy, Brigham Young University, None, The College of William and Mary/Jefferson Lab, Brigham Young University-Idaho, Blue Ridge Research and Consulting LLC, Air Force Research Laboratory - Wright Patterson Air Force Base, Brigham Young Univ - Provo, Blue Ridge Research and Consulting, University of Utah, SRI International, Utah State University, Utah Valley University, Los Alamos National Laboratory, Professor, Graduate, United States Air Force Academy, Arizona State Univ, SiO2 NanoTech, Entrepix Inc, AFRL, Advisor, Brigham Young University- Provo, University of New Mexico, Univ of Utah, University of Wisconsin -- Madison, New Mexico Tech Physics Dept., Retired, Department of Physics and Astronomy, University of Utah, Department of Physics \& Astronomy, University of Hawai'i, JILA and University of Colorado, Boulder, National Institute of Standards and Technology, Boulder, University of Colorado, Boulder, Lawrence Berkeley National Laboratory, National Institute of Standards and Technology, Space Dynamics Lab, New Mexico Tech, BYU Professor, Brigham Young University -- Provo, Northern Arizona University, University of Colorado Boulder, Colorado State University, University of Utah, Department of Physics, New Mexico State University

  • Edwin Fohtung

    New Mexico State University, Physics Department, NMSU/LANL

  • Heinz Nakotte

    New Mexico State University