Redetermination of the crystal structure of tetra-lithium octa-fluorido-zirconate(IV), Li4ZrF8, from single-crystal X-ray data

Alexander T Chemey; Thomas E Albrecht-Schmitt

doi:10.1107/S2056989018018194

Redetermination of the crystal structure of tetra-lithium octa-fluorido-zirconate(IV), Li₄ZrF₈, from single-crystal X-ray data

Acta Crystallogr E Crystallogr Commun. 2019 Jan 4;75(Pt 2):139-141. doi: 10.1107/S2056989018018194. eCollection 2019 Feb 1.

Authors

Alexander T Chemey¹, Thomas E Albrecht-Schmitt¹

Affiliation

¹ Department of Chemistry and Biochemistry, Florida State University, 95 Chieftan Way, Tallahassee, FL 32306, USA.

Abstract

Presented herein is the crystal-structure redetermination of Li₄ZrF₈ from single-crystal X-ray data. Alkali zirconium fluorides are important in nuclear-relevant technologies, and zirconium is commonly employed as an analogue for tetra-valent 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 octa-fluorido-zirconate moieties are held together by electrostatic attraction to lithium ions without sharing of fluoride sites between zirconium(IV) ions.

Keywords: crystal structure; fluoride; ionic compounds; metal fluoride; redetermination; zirconium.

Grants and funding

This work was funded by Department of Energy, Office of Science, Basic Energy Sciences grant DE-SC0016568.