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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• 作者：Mads R. V. Jø ; rgensen ; Paula M. B. Piccoli ; Venkatesha R. Hathwar ; Xiaoping Wang ; Christina M. Hoffmann ; Andrey A. Yakovenko ; Gregory J. Halder ; John A. Schlueter ; Bo B. Iversen and Arthur J. Schultz
• 关键词：single-crystal neutron diffraction ; synchrotron powder diffraction ; deuterium isotope phase transition ; pressure&ndash ; temperature phase transition
• 刊名：Acta Crystallographica Section B
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：73
• 期：1
• 页码：87-93
• 全文大小：781K
• ISSN：2052-5206

文摘

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.