Abstract
High resolution powder neutron diffraction data have been collected on the deuterated analog of the layered oxide BiMo2O7OH · 2H2O. Analysis using the Rietveld method has provided the locations of the deuterium atoms and led to an excellent structural refinement in space group P21/m with a = 6.3594(1) A ̊, b = 11.5976(1) A ̊, c = 5.7962(1) A ̊, and β = 113.434(1) °. The model refined to give Rwp = 6.69%, RI = 7.30%, and gc2 = 2.75 for 55 variables (47 structural) and 475 reflections. The location of the deuterium atoms confirms the prediction made in a previous synchrotron X-ray study but the details are more complex than expected. A full description of the deuterium bonding is provided.
Original language | English |
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Pages (from-to) | 1339-1343 |
Number of pages | 5 |
Journal | Journal of Physics and Chemistry of Solids |
Volume | 56 |
Issue number | 10 |
Publication status | Published - Oct 1995 |
Externally published | Yes |
Keywords
- A. oxides
- C. neutron scattering
- D. crystal structure
ASJC Scopus subject areas
- Condensed Matter Physics
- General Materials Science
- General Chemistry