Two closely related polymorphs of ammonium trifluorooxovanadate

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

Research output: Contribution to journalArticle

Abstract

Two polymorphs of ammonium trifluorooxovanadate (NH 4 VOF 3 ) 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-NH 4 VOF 3 :371 Å 3 , β-NH 4 VOF 3 :375 Å 3 at 100 K), and similar total energies (difference of ∼2.2 meV per formula unit at 0 K). Both structures contain the [VOF 3 ] n n− ladder motif that has been reported in phases such as KVOF 3 and RbVOF 3 . 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-NH 4 VOF 3 .

Original languageEnglish
Pages (from-to)261-265
Number of pages5
JournalJournal of Solid State Chemistry
Volume276
DOIs
Publication statusPublished - Aug 1 2019

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Polymorphism
Ammonium Compounds
ladders
Ladders
hydrofluoric acid
reaction time
vanadium
Hydrofluoric Acid
Vanadium
Hydrofluoric acid
single crystals
synthesis
cells
Single crystals
energy

Keywords

  • 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

Cite this

Two closely related polymorphs of ammonium trifluorooxovanadate. / Wustrow, Allison; Hancock, Justin C.; Holland, Michael; Charles, Nenian; Rondinelli, James M.; Poeppelmeier, Kenneth R.

In: Journal of Solid State Chemistry, Vol. 276, 01.08.2019, p. 261-265.

Research output: Contribution to journalArticle

Wustrow, Allison ; Hancock, Justin C. ; Holland, Michael ; Charles, Nenian ; Rondinelli, James M. ; Poeppelmeier, Kenneth R. / Two closely related polymorphs of ammonium trifluorooxovanadate. In: Journal of Solid State Chemistry. 2019 ; Vol. 276. pp. 261-265.
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AU - Poeppelmeier, Kenneth R

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