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The structure of K0.92(2) Zn0.08(2) H1.92(2) (PO4) was determined using single-crystal X-ray diffraction. The crystal structure of the Zn-KDP belonged to the tetragonal space group $$ \mathrm{I}\overline{4}2\mathrm{d} $$ , with cell parameters of a = b = 7.4487(5) Å and c = 6.9703(5) Å, 386.73(5) Å3, Z = 4, and R = 0.023. Zn2+ ions were used as substitutes for K+ ions with hydrogen vacancy. The Zn-KDP single crystals were submitted to further Raman, infrared, and 1H NMR studies to investigate chemical group functionalisation, possible bonding between the organic and inorganic materials, and partial substitution of K+ by Zn2+. The latter partial substitution was confirmed by the deviation of IR frequencies for O–H stretching, the variation of IR and Raman frequencies for stretching and bending vibrations ν(PO4) of H2PO4, and the appearance of additional Raman (147, 386 and 481 cm−1) vibrational bands. Electrical conductivity measurements were performed on polycrystalline pellets of Zn-KDP and pure KDP at room temperatures (RT) of up to 473K. In both cases, a conductivity jump close to 453K was observed, and a stronger increase of conductivity was measured.
Ionics – Springer Journals
Published: Nov 28, 2012
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