Composition Space Diagrams for Mixed Transition Metal Oxide Fluorides

Alexander J. Norquist, Kevin R. Heier, Charlotte L. Stern, Kenneth R. Poeppelmeier

Research output: Contribution to journalArticlepeer-review

93 Citations (Scopus)


Composition space diagrams have been used to study phase stability of mixed transition metal oxide fluorides synthesized by hydrothermal reaction of the metal oxides in (HF)x·pyridine/H2O/pyridine solution (150°C, autogenous pressure). The combination of early (Ti, Zr, Hf, Mb, Ta, Mo, W) and late (Cu, Cd, Zn) transition metals and the effects of varying the mole ratios of the metals, (HF)x·pyridine, and water are examined in this study. Single-crystal products containing [Cu(py)4]2+, [Cd(py)4]2+, or [Zn(py)4]2+ cations and [TiF6]2-, [ZrF6]2-, [HfF6]2-, [NbOF5]2-, [TaOF5]2-, [MoO2F4]2-, or [WO2F4]2- anions are recovered. Relative stability of the crystalline products is governed by the negative charge distribution on the anions, as well as the concentrations of each reactant in solution. Two new structures are reported: Cu(NC5H5)4TaOF5 and Cu(NC5H5)4TiF6·3H 2O. Crystal data: for Cu(NC5H5)4TaOF5, monoclinic, space group C2/c (No. 15), with a = 10.541(3) Å, b = 13.547(6) Å, c = 16.04(1) Å, β = 97.73(5)°, and Z = 4; for Cu(NC5H5)4TiF6·3H 2O, monoclinic, space group C2/c (No. 15), with a = 12.767(4) Å, b = 12.048(2) Å, c = 17.787(6) Å, β = 109.9(1)°, and Z = 4.

Original languageEnglish
Pages (from-to)6495-6501
Number of pages7
JournalInorganic Chemistry
Issue number25
Publication statusPublished - 1998

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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