Synthesis and characterization of the crystal structure and magnetic properties of the hydroxyfluoride MnF2-x(OH)x (x ∼ 0.8)

Hamdi Yahia, Masahiro Shikano, Hironori Kobayashi, Maxim Avdeev, Samuel Liu, Chris D. Ling

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The new compound MnF2-x(OH)x (x ∼ 0.8) was synthesized by a hydrothermal route from a 1:1 molar ratio of lithium fluoride and manganese acetate in an excess of water. The crystal structure was determined using the combination of single crystal X-ray and neutron powder diffraction measurements. The magnetic properties of the title compound were characterized by magnetic susceptibility and low-temperature neutron powder diffraction measurements. MnF2-x(OH)x (x ∼ 0.8) crystallizes with orthorhombic symmetry, space group Pnn2 (no. 34), a = 4.7127(18), b = 5.203(2), c = 3.2439(13) Å, V = 79.54(5) Å3 and Z = 2. The crystal structure is a distorted rutile-type with [Mn(F,O)4] infinite edge-sharing chains along the c-direction. The protons are located in the channels and form O-H⋯F bent hydrogen bonds. The magnetic susceptibility measurements indicate an antiferromagnetic ordering at ∼70 K and the neutron powder diffraction measurements at 3 K show that the ferromagnetic chains with spins parallel to the c-axis are antiferromagnetically coupled to each other, similarly to the magnetic structure of tetragonal rutile-type MnF2 with isoelectronic Mn2+. MnF2-x(OH)x (x ∼ 0.8) is expected to be of great interest as a positive electrode for Li cells if the protons could be exchanged for lithium.

Original languageEnglish
Pages (from-to)13061-13069
Number of pages9
JournalPhysical Chemistry Chemical Physics
Issue number31
Publication statusPublished - 21 Aug 2013
Externally publishedYes


ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

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