Neutron and X-ray investigations of the Jahn-Teller switch in partially deuterated ammonium copper Tutton salt, (NH4)2[Cu(H2O)6](SO4)2

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  • Mads Ry Vogel Jørgensen
  • Paula M B Piccoli, Argonne National Laboratory, Argonne, USA
  • ,
  • Venkatesha R. Hathwar
  • Xiaoping Wang, Oak Ridge National Laboratory
  • ,
  • Christina M. Hoffmann, Oak Ridge National Laboratory
  • ,
  • Andrey A. Yakovenko, Argonne National Laboratory, Argonne, USA
  • ,
  • Gregory J. Halder, Argonne National Laboratory, Argonne, USA
  • ,
  • John A. Schlueter, Argonne National Laboratory, Argonne, USA, National Science Foundation
  • ,
  • Bo B. Iversen
  • Arthur J Schultz, Argonne National Laboratory, Argonne, USA

The structural phase transition accompanied by a Jahn-Teller switch has been studied over a range of H/D ratios in (NH4)2[Cu(H2O)6](SO4)2 (ACTS). In particular, single-crystal neutron diffraction investigations of crystals with deuteration in the range 50 to 82% are shown to be consistent with previous electron paramagnetic resonance (EPR) experiments exhibiting a phase boundary at 50% deuteration under ambient pressure. Polycrystalline samples show that the two phases can co-exist. In addition, single-crystal neutron and polycrystalline X-ray diffraction pressure experiments show a shift to lower pressure at 60% deuteration versus previous measurements at 100% deuteration.

TidsskriftActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Sider (fra-til)87-93
Antal sider7
StatusUdgivet - 2017

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