Two closely related polymorphs of ammonium trifluorooxovanadate

Allison Wustrow, Justin C. Hancock, Michael Holland, Nenian Charles, James M. Rondinelli, Kenneth R. Poeppelmeier*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations


Two polymorphs of ammonium trifluorooxovanadate (NH4VOF3) were synthesized as single crystals by the reaction of ammonium metavanadate with vanadium in hydrofluoric acid. The two phases crystalize in the same space group (Pbam), have similar unit cell volumes (α-NH4VOF3:371 Å3, β-NH4VOF3:375 Å3 at 100 K), and similar total energies (difference of ∼2.2 meV per formula unit at 0 K). Both structures contain the [VOF3]n n− ladder motif that has been reported in phases such as KVOF3 and RbVOF3. The polymorphs are differentiated by the angle between two neighboring ladder motifs. Although the two polymorphs are structurally similar, selective synthesis is possible as longer reaction times favor β-NH4VOF3.

Original languageEnglish (US)
Pages (from-to)261-265
Number of pages5
JournalJournal of Solid State Chemistry
StatePublished - Aug 2019


  • Hydrothermal synthesis
  • Polymorphs
  • Single crystal X-ray diffraction
  • Trifluorooxovanadate

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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