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

Mads R.V. Jørgensen, Paula M.B. Piccoli, Venkatesha R. Hathwar, Xiaoping Wang, Christina M. Hoffmann, Andrey A. Yakovenko, Gregory J. Halder, John A. Schlueter, Bo B. Iversen, Arthur J. Schultz

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3 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)87-93
Number of pages7
JournalActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Volume73
Issue number1
DOIs
StatePublished - Feb 1 2017

Funding

This research used resources of the Intense Pulsed Neutron Source and the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. The measurements carried out at the Spallation Neutron Source was sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy, under contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. MRVJ, VRH and BBI are grateful for the support by the Danish National Research Foundation (Centre for Materials Crystallography, DNRF93) and the Danish Research Council for Nature and Universe (Danscatt). JAS acknowledges support from the Independent Research/Development program while serving at the National Science Foundation.

Keywords

  • deuterium isotope phase transition
  • pressure-temperature phase transition
  • single-crystal neutron diffraction
  • synchrotron powder diffraction

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