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Title: 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

Journal Article · · Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online)

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% deuterationversusprevious measurements at 100% deuteration.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Science - Office of Basic Energy Sciences - Scientific User Facilities Division; National Science Foundation (NSF)
DOE Contract Number:
AC02-06CH11357
OSTI ID:
1411011
Journal Information:
Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online), Vol. 73, Issue 1; ISSN 2052-5206
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English