Zirconium tetrafluoride

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

EC Number |

* 232-018-1

PubChem CID

* 82216

UNII |

* 1XHF39056H

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/cm3 (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
GHS pictograms |
GHS Signal word | Danger

GHS hazard statements

| HH314Script error: No such module "Preview warning".Category:GHS errors

GHS precautionary statements

| PP260Script error: No such module "Preview warning".Category:GHS errors, PP264Script error: No such module "Preview warning".Category:GHS errors, PP280Script error: No such module "Preview warning".Category:GHS errors, PP301+P330+P331Script error: No such module "Preview warning".Category:GHS errors, PP302+P361+P354Script error: No such module "Preview warning".Category:GHS errors, PP304+P340Script error: No such module "Preview warning".Category:GHS errors, PP305+P354+P338Script error: No such module "Preview warning".Category:GHS errors, PP316Script error: No such module "Preview warning".Category:GHS errors, PP321Script error: No such module "Preview warning".Category:GHS errors, PP363Script error: No such module "Preview warning".Category:GHS errors, PP405Script error: No such module "Preview warning".Category:GHS errors, PP501Script error: No such module "Preview warning".Category:GHS errors
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).

Y verify (what is YN ?)
Infobox references

Zirconium(IV) fluoride describes members of a family inorganic compounds with the formula ZrF4(H2O)x. All are colorless, diamagnetic solids. Anhydrous Zirconium(IV) fluoride is a component of ZBLAN fluoride glass.[2]

## Contents

* 1 Structure
* 2 Preparation and reactions
* 3 Applications
* 4 References

## Structure

Tetragonal ZrF4

Three crystalline phases of ZrF4 have been reported, the stable β phase (monoclinic, space group I2/c) , α (tetragonal, space group P42/m) which is a high-temperature meta-stable form that can be stabilized by quenching. The γ-form (monoclinic, space group P21/c) is a high-pressure phase, forming at pressures between (4-8 GPa)[3]. α and γ phases are unstable and transform into the β phase at 400[4] and 723°C[3] respectively. There also exists an amorphous phase[3].

Zirconium(IV) fluoride forms several hydrates. The trihydrate has the structure (μ–F)
2[ZrF
3(H
2O)

2.[5]

## Preparation and reactions

Zirconium fluoride can be produced by several methods. Zirconium dioxide reacts with hydrogen fluoride and hydrofluoric acid to afford the anhydrous and monohydrates:

ZrO
2 \+ 4 HF → ZrF
4 \+ 2 H

The reaction of Zr metal reacts at high temperatures with HF as well:

Zr + 4 HF → ZrF
4 \+ 2 H

Zirconium dioxide reacts at 200 °C with solid ammonium bifluoride to give the heptafluorozirconate salt, which can be converted to the tetrafluoride at 500 °C:

2ZrO
2 \+ 7 (NH
4)HF
2 → 2 (NH

3ZrF
7 \+ 4 H
2O + NH

(NH

3ZrF
7 → ZrF
4 \+ 3 HF + 3 NH

Addition of hydrofluoric acid to solutions of zirconium nitrate precipitates solid monohydrate. Hydrates of zirconium tetrafluoride can be dehydrated by heating under a stream of hydrogen fluoride.

Zirconium fluoride can be purified by distillation or sublimation.[2]

Zirconium fluoride forms double salts with other fluorides. The most prominent is potassium hexafluorozirconate, formed by fusion of potassium fluoride and zirconium tetrafluoride:[6]

ZrF
4 \+ 2 KF → K
2ZrF

## Applications

The major and perhaps only commercial application of zirconium fluoride is as a precursor to ZBLAN glasses.[2]

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.)[citation needed]

## References

1. ↑ "Zirconium compounds (as Zr)". Immediately Dangerous to Life and Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH). https://www.cdc.gov/niosh/idlh/7440677.html.
2. ↑ 2.0 2.1 2.2 Nielsen, Ralph (2000). "Zirconium and Zirconium Compounds". Ullmann's Encyclopedia of Industrial Chemistry. doi:10.1002/14356007.a28_543. ISBN 3527306730.
3. ↑ 3.0 3.1 3.2 Laval, J.-P. (2014-08-15). "Crystal chemistry of anion-excess ReO3-related phases. III." (in en). Acta Crystallographica Section C: Structural Chemistry 70 (8): 742–748. doi:10.1107/S2053229614014338. ISSN 2053-2296. https://journals.iucr.org/c/issues/2014/08/00/ov3051/.
4. ↑ 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. https://books.google.com/books?id=DvqwTdVhjMEC&pg=PA144.
5. ↑ Greenwood, Norman N.; Earnshaw, Alan (1997). Chemistry of the Elements (2nd ed.). Butterworth-Heinemann. p. 965. ISBN 978-0-08-037941-8.
6. ↑ Meshri., Dayal T. (2000), "Fluorine compounds, inorganic, titanium", Kirk-Othmer Encyclopedia of Chemical Technology, New York: John Wiley, doi:10.1002/0471238961.2009200113051908.a01, ISBN 9780471238966, http://onlinelibrary.wiley.com/book/10.1002/0471238961

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

* v
* t
* e

Zirconium compounds

Zr(II)|

* ZrB2
* ZrH2
* ZrSi2

Zr(III)|

* ZrN
* ZrCl3

Zr(IV)|

* ZrBr4
* ZrC
* ZrCl4
* ZrF4
* ZrI4
* Zr(NO3)4
* ZrOCl2
* Zr(OH)4
* ZrO2
* ZrS2
* Zr(SO4)2
* ZrSiO4
* Zr(WO4)2

| Organozirconium(IV)|

* Zr(acac)4

|

* v
* t
* e

Fluorine compounds

| HF |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | He

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LiF | BeF2 |  |  |  |  |  |  |  |  |  |  | BF3
B2F4 | CF4 | NF3 | OF2 | F− | Ne
NaF | MgF2 |  |  |  |  |  |  |  |  |  |  | AlF3 | SiF4 | PF3
PF5 | SF2
SF4
SF6 | ClF
ClF3
ClF5 | Ar
KF | CaF2 | ScF3 | TiF3
TiF4 | VF3
VF4
VF5 | CrF2
CrF3
CrF4
CrF5 | MnF2
MnF3 | FeF2
FeF3 | CoF2
CoF3 | NiF2 | CuF
CuF2 | ZnF2 | GaF3 | GeF4 | AsF3
AsF5 | SeF4
SeF6 | BrF3
BrF5 | KrF2
RbF | SrF2 | YF3 | ZrF4 | NbF4
NbF5 | MoF5
MoF6 | TcF6 | RuF3
RuF4
RuF5
RuF6 | RhF6 | PdF2 | AgF
AgF2
Ag2F | CdF2 | InF3 | SnF2
SnF4 | SbF3
SbF5 | TeF4 | IF
IF3
IF5
IF7 | XeF2
XeF4
XeF6
CsF | BaF2 | *  | HfF4 | TaF5 | WF4
WF6 | ReF4
ReF5
ReF6
ReF7 | OsF4
OsF5
OsF6 | IrF3
IrF5
IrF6 | PtF4
PtF6 | AuF3
Au2F10
AuF5·F2
| HgF2
Hg2F2 | TlF
TlF3 | PbF2
PbF4 | BiF3
BiF5 | Po | At | RnF2
Fr | Ra | **  | Rf | Db | Sg | Bh | Hs | Mt | Ds | Rg | Cn | Nh | Fl | Mc | Lv | Ts | Og
|  | ↓ |  |  |  |  |  |  |  |  |  |  |  |  |  |  |
| * | LaF3 | CeF3 | Pr | NdF3 | PmF3 | SmF3
| Eu | Gd | Tb | DyF3 | Ho | Er | Tm | YbF3
| Lu |
| ** | AcF3 | ThF4 | Pa | UF3
UF4
UF5
UF6 | NpF3
NpF4
NpF5
NpF6
| PuF3
PuF4
PuF5
PuF6 | AmF3
AmF4 | CmF3 | Bk | Cf | Es | Fm | Md | No | Lr |

Other|

* AgBF4
* AgPF6
* Cs2AlF5
* K3AlF6
* Na3AlF6
* KAsF6
* LiAsF6
* NaAsF6
* HBF4
* KBF4
* LiBF4
* NaBF4
* RbBF4
* Ba(BF4)2
* Ni(BF4)2
* Pb(BF4)2
* Sn(BF4)2
* BaClF
* BaSiF6
* BaGeF6
* BrOF3
* BrO2F
* CBrF3
* CBr2F2
* CBr3F
* CClF3
* CCl2F2
* CCl3F
* CFN
* CF2O
* CF3I
* CHF3
* CH2F2
* CH3F
* C2Cl3F3
* C2H3F
* C6H5F
* C7H5F3
* C15F33N
* ClFO2
* CrFO4
* CrF2O2
* CsBF4
* NH4F
* FNO
* FNO2
* FNO3
* KHF2
* NaHF2
* ThOF2
* NH5F2
* (NH4)2SiF6
* F2OS
* F3OP
* PSF3
* HPF6
* HSbF6
* NH4PF6
* KPF6
* KSbF6
* LiPF6
* NaPF6
* NaSbF6
* Na2SiF6
* Na2TiF6
* Na2ZrF6
* TlPF6
* IOF3
* K2NbF7
* K2TaF7
* IO3F
* UO2F2

Chemical formulas

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