The structure of lithium zirconate (Li6Zr2O7) has been solved by the single-crystal X-ray method. Li6Zr2O7is monoclinic, space group C2/c and cell parameters a = 10.440(4), b = 5.991(1), c = 10.204(2) Å, β = 100.25(3)°, Z = 8 (for the asymmetric unit Li3ZrO7/2). A least-squares refinement gave conventional and weighted R factors of 0.041 and 0.052, respectively. The structure is of the NaCl type and is characterized by an ordered anionic deficiency. As a consequence the coordination number of the Li atoms is 5, with the coordination geometry of a distorted square pyramid. Also, the oxygen octahedron around each Zr atom is significantly distorted. A comparison between Li6Zr2O7and Li2ZrO3, another phase of the NaCl type, shows that the structure of the former compound is more “open” than that of Li2ZrO3and, for this reason, a higher mobility of both the Li+and O2—ions can be expected for the former phase. These results are in agreement with conductivity measurements.

(1993). A Single-Crystal X-Ray Diffraction Study of Lithium Zirconate, Li6Zr2O7, a Solid-State Ionic Conductor [journal article - articolo]. In JOURNAL OF SOLID STATE CHEMISTRY. Retrieved from http://hdl.handle.net/10446/131055

A Single-Crystal X-Ray Diffraction Study of Lithium Zirconate, Li6Zr2O7, a Solid-State Ionic Conductor

Natali Sora, I.;
1993

Abstract

The structure of lithium zirconate (Li6Zr2O7) has been solved by the single-crystal X-ray method. Li6Zr2O7is monoclinic, space group C2/c and cell parameters a = 10.440(4), b = 5.991(1), c = 10.204(2) Å, β = 100.25(3)°, Z = 8 (for the asymmetric unit Li3ZrO7/2). A least-squares refinement gave conventional and weighted R factors of 0.041 and 0.052, respectively. The structure is of the NaCl type and is characterized by an ordered anionic deficiency. As a consequence the coordination number of the Li atoms is 5, with the coordination geometry of a distorted square pyramid. Also, the oxygen octahedron around each Zr atom is significantly distorted. A comparison between Li6Zr2O7and Li2ZrO3, another phase of the NaCl type, shows that the structure of the former compound is more “open” than that of Li2ZrO3and, for this reason, a higher mobility of both the Li+and O2—ions can be expected for the former phase. These results are in agreement with conductivity measurements.
articolo
Zocchi, M.; Natali Sora, I.; Depero, L. E.; Roth, R. S.
(1993). A Single-Crystal X-Ray Diffraction Study of Lithium Zirconate, Li6Zr2O7, a Solid-State Ionic Conductor [journal article - articolo]. In JOURNAL OF SOLID STATE CHEMISTRY. Retrieved from http://hdl.handle.net/10446/131055
File allegato/i alla scheda:
Non ci sono file allegati a questa scheda.
Pubblicazioni consigliate

Caricamento pubblicazioni consigliate

Aisberg ©2008 Servizi bibliotecari, Università degli studi di Bergamo | Terms of use/Condizioni di utilizzo

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10446/131055
Citazioni
  • Scopus 25
  • ???jsp.display-item.citation.isi??? 23
social impact