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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Abstract

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
Volume15
Issue number31
DOIs
Publication statusPublished - 21 Aug 2013
Externally publishedYes

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Neutron Diffraction
Powder Diffraction
Neutron powder diffraction
Magnetic properties
Crystal structure
magnetic properties
crystal structure
Protons
synthesis
Magnetic susceptibility
neutrons
rutile
diffraction
Manganese
magnetic permeability
Lithium
lithium fluorides
protons
Hydrogen
Magnetic structure

ASJC Scopus subject areas

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

Cite this

Synthesis and characterization of the crystal structure and magnetic properties of the hydroxyfluoride MnF2-x(OH)x (x ∼ 0.8). / Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori; Avdeev, Maxim; Liu, Samuel; Ling, Chris D.

In: Physical Chemistry Chemical Physics, Vol. 15, No. 31, 21.08.2013, p. 13061-13069.

Research output: Contribution to journalArticle

Yahia, Hamdi ; Shikano, Masahiro ; Kobayashi, Hironori ; Avdeev, Maxim ; Liu, Samuel ; Ling, Chris D. / Synthesis and characterization of the crystal structure and magnetic properties of the hydroxyfluoride MnF2-x(OH)x (x ∼ 0.8). In: Physical Chemistry Chemical Physics. 2013 ; Vol. 15, No. 31. pp. 13061-13069.
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