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Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction

Content Provider	Scilit
Author	Auer, Henry Weber, Sebastian Hansen, Thomas Christian Többens, Daniel Maria Kohlmann, Holger
Copyright Year	2018
Abstract	Hydrogenation products of the Zintl phases AeTt (Ae = alkaline earth; Tt = tetrel) exhibit hydride anions on interstitial sites as well as hydrogen covalently bound to Tt which leads to a reversible hydrogenation at mild conditions. In situ thermal analysis, synchrotron and neutron powder diffraction under hydrogen (deuterium for neutrons) pressure was applied to BaTt (Tt=Ge, Sn). BaTtH_y (10.5 (Pnma, a=1319.5(2) pm, b=421.46(2) pm, c=991.54(7) pm) and α-BaSnH_0.19 (Cmcm, a=522.72(6) pm, b=1293.6(2) pm, c=463.97(6) pm). Upon cooling the hydrogen rich phases are reformed. Thermal decomposition of γ-BaGeH_y under vacuum leads to β-BaGeH_0.5 and α-BaGeH_0.13 [Cmcm, a=503.09(3) pm, b=1221.5(2) pm, c=427.38(4) pm]. At 500 K the reversible reaction α-BaGeH_0.23 (vacuum)⇄β-BaGeH_0.5 (0.2 MPa deuterium pressure) is fast and was observed with 10 s time resolution by in situ neutron diffraction. The phases α-BaTtH_y show a pronounced phase width (at least 0.090.5 and the γ-phases appear to be line phases. The hydrogen poor (α- and β-) phases show a partial occupation of Ba₄ tetrahedra by hydride anions leading to a partial oxidation of polyanions and shortening of Tt–Tt bonds.
Related Links	https://ul.qucosa.de/api/qucosa:33411/attachment/ATT-0/ http://www.degruyter.com/downloadpdf/j/zkri.ahead-of-print/zkri-2017-2142/zkri-2017-2142.xml
Ending Page	409
Page Count	11
Starting Page	399
ISSN	21944946
e-ISSN	21967105
DOI	10.1515/zkri-2017-2142
Journal	Zeitschrift für Kristallographie - Crystalline Materials
Issue Number	6
Volume Number	233
Language	English
Publisher	Walter de Gruyter GmbH
Publisher Date	2018-06-27
Access Restriction	Open
Subject Keyword	Zeitschrift Für Kristallographie - Crystalline Materials Characterization and Testing of Materials Mineralogy In Situ Diffraction Metal Hydrides Neutron Diffraction Zintl Phases Journal: Zeitschrift für Kristallographie - Crystalline Materials, Vol- 233, Issue- 1
Content Type	Text
Resource Type	Article
Subject	Condensed Matter Physics Materials Science Inorganic Chemistry

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