Zirconium(IV) iodide

Zirconium(IV) iodide
Names
	Other names zirconium tetraiodide
Identifiers
CAS Number	13986-26-0 ;
3D model (JSmol)	Interactive image;
ChemSpider	75903 ;
ECHA InfoCard	100.034.332
EC Number	237-780-9;
PubChem CID	84133;
UNII	H6NZC1810V;
CompTox Dashboard (EPA)	DTXSID90894910 ;
	InChI InChI=1S/4HI.Zr/h41H;/q;;;;+4/p-4 Key: XLMQAUWIRARSJG-UHFFFAOYSA-J ; InChI=1/4HI.Zr/h41H;/q;;;;+4/p-4 Key: XLMQAUWIRARSJG-XBHQNQODAZ;
	SMILES [Zr+4].[I-].[I-].[I-].[I-];
Properties
Chemical formula	ZrI4
Molar mass	598.842 g/mol
Appearance	orange-yellow crystalline; hygroscopic
Density	4.914 g/cm3
Melting point	499[1] °C (930 °F; 772 K) ; (triple point)
Boiling point	431 °C (808 °F; 704 K) (sublimes)
Structure
Crystal structure	Monoclinic, mP30
Space group	P2/c, No. 13
Hazards
GHS pictograms
GHS Signal word	Danger
GHS hazard statements	H314, H318
GHS precautionary statements	P260, P264, P280, P301+330+331, P303+361+353, P304+340, P305+351+338, P310, P321, P363, P405, P501
NFPA 704 (fire diamond)	0 3 2
Related compounds
Other anions	Zirconium(IV) fluoride; Zirconium(IV) chloride; Zirconium(IV) bromide
Other cations	Titanium tetraiodide; Hafnium tetraiodide
	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

Zirconium(IV) iodide is the chemical compound with the formula Zr I₄. It is the most readily available iodide of zirconium. It is an orange-coloured solid that degrades in the presence of water. The compound was once prominent as an intermediate in the purification of zirconium metal.

Structure

Like most binary metal halides, it adopts a polymeric structure. As characterized by X-ray crystallography, the compound exists as a polymer consisting of octahedral Zr(IV) centers, each with a pair of terminal iodide ligands and a four doubly bridging iodide ligands. The Zr-I distances of 2.692 (terminal) and 3.030 Å[2][3]

Synthesis and reactions

This compound is volatile, subliming as intact tetrahedral ZrI₄ molecules. It is prepared by the direct reaction of powdered zirconium metal and iodine.[1]

Pyrolysis of zirconium(IV) iodide gas by contact of hot wire was the first industrial process for the commercial production of pure ductile metallic zirconium. This crystal bar process was developed by Anton Eduard van Arkel and Jan Hendrik de Boer in 1925.[4]

References

Eberly, K. C. (1963). "Zirconium(IV) Iodide". Inorganic Syntheses. Inorganic Syntheses. 7. pp. 52–54. doi:10.1002/9780470132388.ch13. ISBN 9780470132388..
B. Krebs, G. Henkel und M. Dartmann "Kristallstruktur von Zirkoniumtetrajodid ZrI₄: ein neuer AB₄-strukturtyp" Acta Crystallogr. 1979, volume B35, pp. 274-278. doi:10.1107/S0567740879003344
Troyanov, S.I. "Crystal structure of gamma-ZrI₄" Kristallografiya, 1986, volume 31, p446-449.
van Arkel, A. E.; de Boer, J. H. (1925). "Darstellung von reinem Titanium-, Zirkonium-, Hafnium- und Thoriummetall". Zeitschrift für anorganische und allgemeine Chemie (in German). 148 (1): 345–350. doi:10.1002/zaac.19251480133.

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[IS-1] Eberly, K. C. (1963). "Zirconium(IV) Iodide". Inorganic Syntheses. Inorganic Syntheses. 7. pp. 52–54. doi:10.1002/9780470132388.ch13. ISBN 9780470132388..

[2] B. Krebs, G. Henkel und M. Dartmann "Kristallstruktur von Zirkoniumtetrajodid ZrI₄: ein neuer AB₄-strukturtyp" Acta Crystallogr. 1979, volume B35, pp. 274-278. doi:10.1107/S0567740879003344

[3] Troyanov, S.I. "Crystal structure of gamma-ZrI₄" Kristallografiya, 1986, volume 31, p446-449.

[4] van Arkel, A. E.; de Boer, J. H. (1925). "Darstellung von reinem Titanium-, Zirkonium-, Hafnium- und Thoriummetall". Zeitschrift für anorganische und allgemeine Chemie (in German). 148 (1): 345–350. doi:10.1002/zaac.19251480133.