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  The new barium compound Ba4Al7+x: formation and crystal structure

Prots, Y., Lange, F., Drathen, C., Schmidt, M., & Grin, Y. (2016). The new barium compound Ba4Al7+x: formation and crystal structure. Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences, 71(5), 611-619. doi:10.1515/znb-2016-0051.

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 Creators:
Prots, Yurii1, Author              
Lange, Felix2, Author              
Drathen, Christina3, Author
Schmidt, Marcus4, Author              
Grin, Yuri5, Author              
Affiliations:
1Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
2Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
3External Organizations, ou_persistent22              
4Marcus Schmidt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863415              
5Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: Combining laboratory X-ray powder diffraction with in-situ high-temperature synchrotron experiments and differential scanning calorimetry, it has been shown that Ba21Al40, Ba3Al5, Ba7Al10 and Ba4Al5 decompose peritectically at 914, 826, 756, and 732 degrees C, respectively. In addition, a new binary compound with the composition Ba4Al7+x (x = 0.17) and the formation temperature of 841 degrees C was found. The initial structural model (space group P6(3)/mmc, a = 6.0807(1), c = 39.2828(8)angstrom) with four Ba and five Al crystallographic positions was developed. It is based on the intergrowth concept involving the neighboring Ba21Al40 and Ba3Al5 phases and the derived atomic arrangement is subsequently refined using X-ray diffraction data. The crystal structures of all phases in the Ba-Al system, except BaAl4, exhibit Kagome nets of aluminum atoms resembling those observed for the B atoms in the Laves phases AB(2). In the crystal structure of Ba4Al7+x, single Kagome layers alternate with double slabs (MgZn2 motif) along [001] and are separated by Ba cations. Inter-growth features of Ba4Al7+x are discussed together with the neighboring Ba-Al compounds and Sr5Al9.

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Language(s): eng - English
 Dates: 2016-05-152016-05-15
 Publication Status: Published in print
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 Rev. Type: -
 Identifiers: ISI: 000375748200030
DOI: 10.1515/znb-2016-0051
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Title: Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences
  Abbreviation : Z. Naturforsch., B: J. Chem. Sci.
Source Genre: Journal
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Publ. Info: Berlin : Walter de Gruyter GmbH
Pages: - Volume / Issue: 71 (5) Sequence Number: - Start / End Page: 611 - 619 Identifier: ISSN: 0932-0776
CoNE: https://pure.mpg.de/cone/journals/resource/954927655916