LaZn(12.37 (1)), a zinc-deficient variant of the NaZn(13) structure type

The title compound (lanthanum dodecazinc), LaZn(12.37 (1)), is confirmed to be a nonstoichiometric (zinc-deficient) modification of the NaZn(13) structure type, in which one Zn atom (Wyckoff site 8b, site symmetry m [Image: see text]) has a fractional site occupancy of 0.372 (11). The other Zn atom...

Descripción completa

Detalles Bibliográficos
Autores principales: Oshchapovsky, Igor, Pavlyuk, Volodymyr, Dmytriv, Grygoriy, White, Fraser
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Inorganic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212105/
https://www.ncbi.nlm.nih.gov/pubmed/22090807
http://dx.doi.org/10.1107/S1600536811028893
Descripción
Sumario:The title compound (lanthanum dodecazinc), LaZn(12.37 (1)), is confirmed to be a nonstoichiometric (zinc-deficient) modification of the NaZn(13) structure type, in which one Zn atom (Wyckoff site 8b, site symmetry m [Image: see text]) has a fractional site occupancy of 0.372 (11). The other Zn atom (96i, m) and the La atom (8a, 432) are fully occupied. The coordination polyhedra of the Zn atoms are distorted icosa­hedra, whereas the La atoms are surrounded by 24 Zn atoms, forming pseudo-Frank–Kasper polyhedra. Electronic structure calculations indicate that Zn—Zn bonding is much stronger than La—Zn bonding.

Ejemplares similares