Exploring Route for Pyrophosphate-based Electrode Materials: Interplay between Synthesis and Structure

Anastasia M. Alekseeva, Ilya V. Tertov, Andrey V. Mironov, Ivan V. Mikheev, Oleg Drozhzhin, Emiliya V. Zharikova, Marina G. Rozova, Evgeny V. Antipov

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1 Citation (Scopus)


New sodium vanadium(III) hydrogenphosphate hydrate NaV(HPO4)2(H2O)0.5 and sodium vanadium(III) hydrogenphosphate β-NaV(HPO4)2 were prepared in mild hydrothermal conditions. The crystal structures of NaV(HPO4)2(H2O)0.5 [space group Cc, Z = 4, a = 8.46174(19) Å, b = 9.52583(19) Å, c = 8.69376(15) Å, β = 110.9553(11) °, V = 654.41(2) Å3] and β-NaV(HPO4)2 [space group C2/c, Z = 4, a = 7.8681(3) Å, b = 9.8451(3) Å, c = 8.5180(2) Å, β = 107.626(2) °, V = 628.85(3) Å3] were solved and refined from X-ray powder diffraction data. Both compounds were used as precursors in a new route for the preparation of attractive cathode material β-NaVP2O7. The formation of the structure motive providing fast sodium ion diffusion at the first synthesis stage and its further conservation upon stepwise dehydration was revealed. The oversized Na+-embedding channels are stabilized by site-coordinated water in NaV(HPO4)2(H2O)0.5 structure. The topology resemblance and difference in known sodium vanadium(III) complex phosphates are discussed.

Original languageEnglish
Pages (from-to)1260-1266
Number of pages7
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Issue number14
Publication statusPublished - 31 Jul 2020


  • Cathode material; Hydrothermal synthesis
  • Sodium vanadium(III) monohydrogenphosphate
  • Sodium vanadium(III) monohydrogenphosphate hydrate
  • Sodium vanadium(III) pyrosphosphate


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