Octahedral microporous phases Na2Nb2-x TixO6-x (OH)x·H2O and their related perovskites: Crystal chemistry, energetics, and stability relations

Hongwu Xu, Alexandra Navrotsky, May D. Nyman, Tina M. Nenoff

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11 Scopus citations


A family of microporous phases with compositions Na2Nb2-x TixO6-x (OH)x · H2O (0 ≤ × ≤ 0.4) transform to Na2Nb2-x TixO6-0.5x perovskites upon heating. In this study, we have measured the enthalpies of formation of the microporous phases and their corresponding perovskites from the constituent oxides and from the elements by drop solution calorimetry in 3Na2O·4MoO3 solvent at 974 K. As Ti/Nb increases, the enthalpies of formation for the microporous phases become less exothermic up to x = -0.2 but then more exothermic thereafter. In contrast, the formation enthalpies for the corresponding perovskites become less exothermic across the series. The energetic disparity between the two series can be attributed to their different mechanisms of ionic substitutions: Nb5+ + 02- → Ti4+ + OH- for the microporous phases and Nb5+ → Ti4+ + 0.5Vo.. for the perovskites. From the calorimetric data for the two series, the enthalpies of the dehydration reaction, Na2Nb2-x TixO6-x (OH)x·H2O → Na2Nb2-x TixO6-0.5x + H2O, have been derived, and their implications for phase stability at the synthesis conditions are discussed.

Original languageEnglish (US)
Pages (from-to)618-627
Number of pages10
JournalJournal of Materials Research
Issue number3
StatePublished - Mar 2005
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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