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Neutron and X‐ray investigations of the Jahn–Teller switch in partially deuterated ammonium copper Tutton salt, (NH 4 ) 2 [Cu(H 2 O) 6 ](SO 4 ) 2
Author(s) -
Jørgensen Mads R. V.,
Piccoli Paula M. B.,
Hathwar Venkatesha R.,
Wang Xiaoping,
Hoffmann Christina M.,
Yakovenko Andrey A.,
Halder Gregory J.,
Schlueter John A.,
Iversen Bo B.,
Schultz Arthur J.
Publication year - 2017
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520616018412
Subject(s) - neutron diffraction , deuterium , crystallite , electron paramagnetic resonance , crystallography , single crystal , jahn–teller effect , copper , phase boundary , chemistry , atmospheric temperature range , neutron , crystal (programming language) , phase (matter) , analytical chemistry (journal) , materials science , crystal structure , nuclear magnetic resonance , atomic physics , ion , physics , nuclear physics , thermodynamics , organic chemistry , chromatography , computer science , programming language
The structural phase transition accompanied by a Jahn–Teller switch has been studied over a range of H/D ratios in (NH 4 ) 2 [Cu(H 2 O) 6 ](SO 4 ) 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.