Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li4ZrF8, from single-crystal X-ray data

Chemey, Alexander T.; Albrecht-Schmitt, Thomas E.

doi:10.1107/s2056989018018194

Title: Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li₄ZrF₈, from single-crystal X-ray data

Journal Article · 04 January 2019 · Acta Crystallographica. Section E, Crystallographic Communications

DOI: https://doi.org/10.1107/s2056989018018194 · OSTI ID:2350668

^[1]; Albrecht-Schmitt, Thomas E. ^[2]

Florida State Univ., Tallahassee, FL (United States); Florida State University
Florida State Univ., Tallahassee, FL (United States)

Presented herein is the crystal-structure redetermination of Li₄ZrF₈ from singlecrystal X-ray data. Alkali zirconium fluorides are important in nuclear-relevant technologies, and zirconium is commonly employed as an analogue for tetravalent f-block elements. The previous structure report of this species is based on powder X-ray data [Dugat et al. (1995). J. Solid State Chem. 120, 187– 196] but there has never been a refined structure model from single-crystal data. The octafluoridozirconate moieties are held together by electrostatic attraction to lithium ions without sharing of fluoride sites between zirconium(IV) ions.

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Research Organization:: Florida State Univ., Tallahassee, FL (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Actinide Science & Technology (CAST)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0016568

OSTI ID:: 2350668

Journal Information:: Acta Crystallographica. Section E, Crystallographic Communications, Journal Name: Acta Crystallographica. Section E, Crystallographic Communications Journal Issue: 2 Vol. 75; ISSN 2056-9890

Publisher:: International Union of CrystallographyCopyright Statement

Country of Publication:: United States

Language:: English

References (11)

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The crystal structure of Li4UF8 Brunton, G. Journal of Inorganic and Nuclear Chemistry, Vol. 29, Issue 7 https://doi.org/10.1016/0022-1902(67)80206-9	journal	July 1967
Equilibrium phase diagram of the lithium fluoride-beryllium fluoridezirconium fluoride system Thoma, R. E.; Insley, H.; Friedman, H. A. Journal of Nuclear Materials, Vol. 27, Issue 2 https://doi.org/10.1016/0022-3115(68)90120-7	journal	August 1968
Condensed System LiF-NaF-ZrF ₄ -Phase Equilibria and Crystallographic Data. Thoma, R. E.; Insley, H.; Friedman, H. A. Journal of Chemical & Engineering Data, Vol. 10, Issue 3 https://doi.org/10.1021/je60026a004	journal	July 1965
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Crystal structure refinement with SHELXL Sheldrick, George M. Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 3-8 https://doi.org/10.1107/S2053229614024218	journal	January 2015
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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
crystal structure
fluoride
ionic compounds
metal fluoride
redetermination
zirconium

Title: Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li4ZrF8, from single-crystal X-ray data

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Title: Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li₄ZrF₈, from single-crystal X-ray data