Zirconium tetrafluoride

Zirconium(IV) fluoride (ZrF₄) is an inorganic chemical compound. It is a component of ZBLAN fluoride glass. It is insoluble in water. It is the main component of fluorozirconate glasses.

Tetragonal ZrF₄

Zirconium(IV) fluoride

Names
IUPAC names Zirconium(IV) fluoride Zirconium tetrafluoride
Identifiers
CAS Number	7783-64-4^Y 15298-38-1 (monohydrate)
3D model (JSmol)	Interactive image
ChemSpider	74196^Y
ECHA InfoCard	100.029.107
EC Number	232-018-1
PubChem CID	82216
UNII	1XHF39056H
CompTox Dashboard (EPA)	DTXSID5064831
InChI InChI=1S/4FH.Zr/h4*1H;/q;;;;+4/p-4^Y Key: OMQSJNWFFJOIMO-UHFFFAOYSA-J^Y InChI=1/4FH.Zr/h4*1H;/q;;;;+4/p-4 Key: OMQSJNWFFJOIMO-XBHQNQODAN
SMILES F[Zr](F)(F)F
Properties
Chemical formula	ZrF4
Molar mass	167.21 g/mol
Appearance	white crystalline powder
Density	4.43 g/cm^3 (20 °C)
Melting point	910 °C (1,670 °F; 1,180 K)
Solubility in water	1.32 g/100mL (20 °C) 1.388 g/100mL (25 °C)
Structure
Crystal structure	Monoclinic, mS60
Space group	C12/c1, No. 15
Hazards
Flash point	Non-flammable
Lethal dose or concentration (LD, LC):
LD50 (median dose)	98 mg/kg (oral, mouse) 98 mg/kg (oral, rat)[1]
Related compounds
Other anions	Zirconium(IV) chloride Zirconium(IV) bromide Zirconium(IV) iodide
Other cations	Titanium(IV) fluoride Hafnium(IV) fluoride
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Three crystalline phases of ZrF₄ have been reported, α (monoclinic), β (tetragonal, Pearson symbol tP40, space group P42/m, No 84) and γ (unknown structure). β and γ phases are unstable and irreversibly transform into the α phase at 400 °C.[2]

Zirconium fluoride is used as a zirconium source in oxygen-sensitive applications, e.g. metal production.[3] Zirconium fluoride can be purified by distillation or sublimation.[4]

Conditions/substances to avoid are: moisture, active metals, acids and oxidizing agents.

Zirconium fluoride in a mixture with other fluorides is a coolant for molten salt reactors. In the mixture with sodium fluoride it is a candidate coolant for the Advanced High-Temperature Reactor.

Together with uranium salt, zirconium fluoride can be a component of fuel-coolant in molten salt reactors. Mixture of sodium fluoride, zirconium fluoride, and uranium tetrafluoride (53-41-6 mol.%) was used as a coolant in the Aircraft Reactor Experiment. A mixture of lithium fluoride, beryllium fluoride, zirconium fluoride, and uranium-233 tetrafluoride was used in the Molten-Salt Reactor Experiment. (Uranium-233 is used in the thorium fuel cycle reactors.)

References

1. "Zirconium compounds (as Zr)". Immediately Dangerous to Life and Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
2. Paul L. Brown; Federico J. Mompean; Jane Perrone; Myriam Illemassène (2005). Chemical thermodynamics of zirconium. Gulf Professional Publishing. p. 144. ISBN 0-444-51803-7.
3. "Zirconium fluoride". American Elements. Retrieved 2009-07-07.
4. "Method for preparing ultra-pure zirconium and hafnium tetrafluorides. United States Patent 4578252". Retrieved 2009-07-07.

• ORNL/TM-2006/12 Assessment of Candidate Molten Salt Coolants for the Advanced High-Temperature Reactor (AHTR), March 2006 (Accessed 2008/9/18)