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

Jørgensen, Mads R V LU orcid ; Piccoli, Paula M B ; Hathwar, Venkatesha R. ; Wang, Xiaoping ; Hoffmann, Christina M. ; Yakovenko, Andrey A. ; Halder, Gregory J. ; Schlueter, John A. ; Iversen, Bo B. and Schultz, Arthur J. (2017) In Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials 73(1). p.87-93
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%... (More)

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.

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author
; ; ; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
deuterium isotope phase transition, pressure-temperature phase transition, single-crystal neutron diffraction, synchrotron powder diffraction
in
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials
volume
73
issue
1
pages
7 pages
publisher
Wiley-Blackwell
external identifiers
  • wos:000395783800009
  • scopus:85011340693
ISSN
2052-5192
DOI
10.1107/S2052520616018412
language
English
LU publication?
yes
id
95dd70b7-db4f-446f-95af-363dfa261146
date added to LUP
2017-02-15 13:00:58
date last changed
2025-01-07 07:06:19
@article{95dd70b7-db4f-446f-95af-363dfa261146,
  abstract     = {{<p>The structural phase transition accompanied by a Jahn-Teller switch has been studied over a range of H/D ratios in (NH<sub>4</sub>)<sub>2</sub>[Cu(H<sub>2</sub>O)<sub>6</sub>](SO<sub>4</sub>)<sub>2</sub> (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.</p>}},
  author       = {{Jørgensen, Mads R V and Piccoli, Paula M B and Hathwar, Venkatesha R. and Wang, Xiaoping and Hoffmann, Christina M. and Yakovenko, Andrey A. and Halder, Gregory J. and Schlueter, John A. and Iversen, Bo B. and Schultz, Arthur J.}},
  issn         = {{2052-5192}},
  keywords     = {{deuterium isotope phase transition; pressure-temperature phase transition; single-crystal neutron diffraction; synchrotron powder diffraction}},
  language     = {{eng}},
  month        = {{02}},
  number       = {{1}},
  pages        = {{87--93}},
  publisher    = {{Wiley-Blackwell}},
  series       = {{Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials}},
  title        = {{Neutron and X-ray investigations of the Jahn-Teller switch in partially deuterated ammonium copper Tutton salt, (NH<sub>4</sub>)<sub>2</sub>[Cu(H<sub>2</sub>O)<sub>6</sub>](SO<sub>4</sub>)<sub>2</sub>}},
  url          = {{http://dx.doi.org/10.1107/S2052520616018412}},
  doi          = {{10.1107/S2052520616018412}},
  volume       = {{73}},
  year         = {{2017}},
}