Structure and proton mobility in the defect pyrochlore (H2O)xH2Ta2O6 |
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| Institution: | 1. Inorganic Chemistry Laboratory, South Parks Road, Oxford, England, UK;1. Centre for Sustainable Engineering Operations Management, Department of Technology and Innovation, University of Southern Denmark, Odense, Denmark;2. Department Information Technology Management, Faculty of Management, Kharazmi University, Tehran, Iran;1. The Russell H. Morgan Department of Radiology and Radiological Science, Division of MR Research, The Johns Hopkins University School of Medicine, Baltimore, MD, USA;2. F.M. Kirby Research Center for Functional Brain Imaging, Kennedy Krieger Institute, Baltimore, MD, USA;3. Physical Sciences, Sunnybrook Research Institute, Toronto, ON, Canada;4. Department of Medical Radiation Physics, Lund University, Lund, Sweden;5. Department of Medical Biophysics, University of Toronto, Toronto, ON, Canada;6. Department of Neurosurgery and Pediatric Neurosurgery, Medical University of Lublin, Lublin, Poland;1. Department of Medical Physics and Radiology, Faculty of Paramedical Sciences, Kashan University of Medical Sciences, 8115187159 Kashan, Iran;2. Medical Physics and Medical Engineering Department, Faculty of Medicine, Tehran University of Medical Sciences, Tehran, Iran;3. Physics Department, Imam Khomeini International University, Qazvin, Iran;1. Environmental Technologies Research Center, Ahvaz Jundishapur University of Medical Sciences, Ahvaz, Iran;2. Department of Environmental Health Engineering, School of Health, Ahvaz Jundishapur University of Medical Sciences, Ahvaz, Iran;3. School of Health, Ahvaz Jundishapur University of Medical Sciences, Ahvaz, Iran;4. Department of Environmental Health Engineering, School of Health, Arak University of Medical Sciences, Arak, Iran;5. Department of Health Sciences, Faculty of Health, Safety and Environment, Shahid Beheshti University of Medical Sciences, Tehran, Iran;6. Department of Environmental Health Engineering, School of Public Health, Shahid Beheshti University of Medical Sciences, Tehran, Iran |
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| Abstract: | The structure of the defect pyrochlore (D2O)0.38D2Ta2O6 has been determined by powder neutron diffraction. The deuteroxyl deuterons randomly occupy sites ∼ 1.04 Å from the framework oxygens. The water molecules are situated on sites at the centre of the defect pyrochlore cavity, 8b position of Fd3m, and the OW-DW bonds lengths are 0.97 Å. A pulsed solid state N.M.R. study of (H2O)0.42H2Ta2O6 has shown that this material is a reasonable proton conductor with a room temperature diffusion co-efficient of ∼ 10-9 cm2 s-1. |
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