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Two closely related polymorphs of ammonium trifluorooxovanadate
Journal article   Open access   Peer reviewed

Two closely related polymorphs of ammonium trifluorooxovanadate

Allison Wustrow, Justin C. Hancock, Michael Holland, Nenian Charles, James M. Rondinelli, Kenneth R. Poeppelmeier and Joseph H Hancock
Journal of solid state chemistry, v 276, pp 261-265
Aug 2019
url
https://doi.org/10.1016/j.jssc.2019.05.013View
Accepted (AM)Open Access (Publisher-Specific) Open

Abstract

Hydrothermal synthesis Polymorphs Single crystal X-ray diffraction Trifluorooxovanadate
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]nn− 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. [Display omitted] •The crystal structures of two polymorphs of NH4VOF3 are reported.•Both polymorphs can be synthesized using hydrothermal methods.•Reaction time can be tuned to selectively synthesize each polymorph.

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Collaboration types
Domestic collaboration
Web of Science research areas
Chemistry, Inorganic & Nuclear
Chemistry, Physical
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