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  A profound analysis of Rb2[PH] and Cs2[PH] and the role of [PH]2- ions during temperature-induced solid-solid phase transitions

Somer, M., Schnering, H. G. V., Hochrein, O., & Zahn, D. (2014). A profound analysis of Rb2[PH] and Cs2[PH] and the role of [PH]2- ions during temperature-induced solid-solid phase transitions. Solid State Communications, 188, 32-35. doi:10.1016/j.ssc.2014.02.017.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-BA06-9 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-66D3-2
Genre: Journal Article

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 Creators:
Somer, M.1, Author
Schnering, H. G. V.2, Author              
Hochrein, O.2, Author              
Zahn, D.1, Author
Affiliations:
1external, ou_persistent22              
2Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              

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 Abstract: The temperature-induced solid-solid transformation of Rb-2[PH] and Cs-2[PH] is characterized from both experiment and theory. Neutron diffraction, IR-spectroscopy and ab-initio molecular dynamics simulations reveal an asymmetric shift of the lattice constants at 80 K. The molecular mechanism of the structural transformation as identified from IR-spectroscopy and ab-initio molecular dynamics simulations is closely connected to the orientation of the [PH](2-) moieties which undergo a partial order-disorder phase transition. (C) 2014 Elsevier Ltd. All rights reserved.

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 Dates: 2014-06-01
 Publication Status: Published in print
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 Rev. Method: -
 Identifiers: ISI: 000335912800008
DOI: 10.1016/j.ssc.2014.02.017
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Title: Solid State Communications
Source Genre: Journal
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Publ. Info: New York : Pergamon
Pages: - Volume / Issue: 188 Sequence Number: - Start / End Page: 32 - 35 Identifier: ISSN: 0038-1098
CoNE: https://pure.mpg.de/cone/journals/resource/954925445695