Crystal structures of the trifluoromethyl sulfonates M(SO3CF3)(2) (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data

• The crystal structures of divalent metal salts of trifluoromethyl sulfonic acid ('trifluoromethyl sulfonates') M( SO3CF3)(2) (M = Mg, Ca, Ba, Zn, Cu) were determined from high-resolution X-ray powder diffraction data. Magnesium, calcium and zinc trifluoromethyl sulfonate crystallize in the rhombohedral space group R (3) over bar . Barium trifluoromethyl sulfonate crystallizes in the monoclinic space group I2= a(C2/c) and copper trifluoromethyl sulfonate crystallizes in the triclinic group P (1) over bar. Within the crystal structures the trifluoromethyl sulfonate anions are arranged in double layers with the apolar CF3 groups pointing towards each other. The cations are located next to the SO3 groups. The symmetry relations between the different crystal structures have been analysed.

Nyckelord

gel polymer electrolyte

abinitio structure determination

cross-linked polymers

paddle-wheel

zinc trifluoromethanesulfonate

poly(ethylene oxide)

anion reorientation

magnesium triflate

ionic-conductivity

percolation model

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