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

Abstract

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
Volume276
DOIs
StatePublished - Aug 2019

Funding

This work was supported as a part of the Joint Center for Energy Storage Research , an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. This work made use of the Jerome B. Cohen X-Ray Diffraction Facility supported by the MRSEC program of the National Science Foundation ( DMR-1720139 ) at the Materials Research Center of Northwestern University and the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource ( NSF ECCS-1542205 .), as well as IMSERC at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource ( NSF ECCS-1542205 ); the State of Illinois and International Institute for Nanotechnology (IIN) . N.C. and J.M.R. were supported by NSF ( DMR-1454688 ).

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

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