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...

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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
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author Oshchapovsky, Igor
Pavlyuk, Volodymyr
Dmytriv, Grygoriy
White, Fraser
author_facet Oshchapovsky, Igor
Pavlyuk, Volodymyr
Dmytriv, Grygoriy
White, Fraser
author_sort Oshchapovsky, Igor
collection PubMed
description 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.
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spelling pubmed-32121052011-11-16 LaZn(12.37 (1)), a zinc-deficient variant of the NaZn(13) structure type Oshchapovsky, Igor Pavlyuk, Volodymyr Dmytriv, Grygoriy White, Fraser Acta Crystallogr Sect E Struct Rep Online Inorganic Papers 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. International Union of Crystallography 2011-07-30 /pmc/articles/PMC3212105/ /pubmed/22090807 http://dx.doi.org/10.1107/S1600536811028893 Text en © Oshchapovsky et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Inorganic Papers
Oshchapovsky, Igor
Pavlyuk, Volodymyr
Dmytriv, Grygoriy
White, Fraser
LaZn(12.37 (1)), a zinc-deficient variant of the NaZn(13) structure type
title LaZn(12.37 (1)), a zinc-deficient variant of the NaZn(13) structure type
title_full LaZn(12.37 (1)), a zinc-deficient variant of the NaZn(13) structure type
title_fullStr LaZn(12.37 (1)), a zinc-deficient variant of the NaZn(13) structure type
title_full_unstemmed LaZn(12.37 (1)), a zinc-deficient variant of the NaZn(13) structure type
title_short LaZn(12.37 (1)), a zinc-deficient variant of the NaZn(13) structure type
title_sort lazn(12.37 (1)), a zinc-deficient variant of the nazn(13) structure type
topic Inorganic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212105/
https://www.ncbi.nlm.nih.gov/pubmed/22090807
http://dx.doi.org/10.1107/S1600536811028893
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